UCSF

ZINC32831185

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 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) 3.23 5.87 -9.68 2 6 0 63 383.492 6
Lo Low (pH 4.5-6) 3.23 8.07 -49.94 3 6 1 64 384.5 6

Activity (Go SEA)

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