UCSF

ZINC03195353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 27 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) 7.43 10.81 -7.07 1 3 0 46 428.425 6
Mid Mid (pH 6-8) 7.43 11.6 -38.12 0 3 -1 48 427.417 6

Activity (Go SEA)

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