UCSF

ZINC13689986

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 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) 0.80 7 -12.19 2 7 0 89 303.347 4
Mid Mid (pH 6-8) 0.98 5.12 -46.27 1 7 -1 95 302.339 4

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

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