UCSF

ZINC32829117

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) 1.76 9.26 -16.85 1 6 0 63 375.476 5
Lo Low (pH 4.5-6) 1.76 9.71 -44.29 2 6 1 64 376.484 5

Activity (Go SEA)

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