UCSF

ZINC00663338

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 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) 3.69 0.4 -16.21 1 6 0 84 397.5 6
Lo Low (pH 4.5-6) 3.69 0.54 -51.31 2 6 1 85 398.508 6

Activity (Go SEA)

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