UCSF

ZINC32759292

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 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) 2.95 9.41 -43.7 1 4 1 26 339.459 5
Mid Mid (pH 6-8) 2.95 9.37 -41.49 1 4 1 26 339.459 5
Mid Mid (pH 6-8) 2.95 7.05 -6.7 0 4 0 25 338.451 5

Activity (Go SEA)

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