UCSF

ZINC31964644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.44 4.35 -60.21 5 5 1 86 292.403 7
Hi High (pH 8-9.5) 2.44 3.95 -15.29 4 5 0 84 291.395 7

Activity (Go SEA)

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