UCSF

ZINC34873381

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 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) 3.39 7.52 -11.62 3 5 0 81 368.44 4
Lo Low (pH 4.5-6) 3.39 8.01 -44.97 4 5 1 82 369.448 4

Activity (Go SEA)

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