UCSF

ZINC07344198

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2006 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.03 0.16 -47.01 1 7 -1 95 241.281 4
Hi High (pH 8-9.5) 0.21 -0.96 -42.12 1 7 -1 103 241.281 4
Mid Mid (pH 6-8) 0.03 0.3 -19.59 2 7 0 96 242.289 4

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.