UCSF

ZINC32803838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 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) 3.71 8.97 -7.95 0 4 0 42 284.359 3
Lo Low (pH 4.5-6) 3.71 9.32 -25.11 1 4 1 44 285.367 3

Activity (Go SEA)

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