UCSF

ZINC33010238

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.79 11.83 -46.11 2 6 0 87 429.52 6
Mid Mid (pH 6-8) 4.79 11.6 -52.31 1 6 -1 85 428.512 6

Activity (Go SEA)

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