UCSF

ZINC32249056

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.42 5.99 -11.72 1 6 0 60 384.476 8
Lo Low (pH 4.5-6) 2.42 8.26 -50.27 2 6 1 61 385.484 8

Activity (Go SEA)

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