UCSF

ZINC32735863

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 27 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) 3.08 8.07 -39.29 2 5 1 44 369.485 7
Lo Low (pH 4.5-6) 3.08 9.47 -140 3 5 2 49 370.493 7

Activity (Go SEA)

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