UCSF

ZINC32500604

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) 3.05 4.61 -17.63 3 6 0 86 333.347 3
Lo Low (pH 4.5-6) 3.05 5.04 -51.28 4 6 1 88 334.355 3

Activity (Go SEA)

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