UCSF

ZINC32740405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 25 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) 3.62 9.04 -43.06 2 4 1 39 337.443 6
Lo Low (pH 4.5-6) 3.62 10.31 -127.21 3 4 2 43 338.451 6

Activity (Go SEA)

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