UCSF

ZINC09273882

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 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) 4.10 -0.12 -15.1 0 6 0 64 431.517 4
Lo Low (pH 4.5-6) 4.10 -0.01 -44.47 1 6 1 65 432.525 4

Activity (Go SEA)

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