UCSF

ZINC33587891

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 36 No

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) 3.71 11.03 -34.11 0 10 -1 141 501.5 7
Lo Low (pH 4.5-6) 3.71 9.9 -22.79 1 10 0 138 502.508 7

Activity (Go SEA)

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