UCSF

ZINC00403188

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.57 0.1 -8.1 2 4 0 66 188.186 1
Hi High (pH 8-9.5) 1.57 0.87 -39.19 1 4 -1 69 187.178 1
Mid Mid (pH 6-8) 1.38 1.5 -50.06 2 4 0 66 188.186 0

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

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