UCSF

ZINC33822326

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 17 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) 3.95 9.45 -49.41 0 3 -1 57 241.351 11
Lo Low (pH 4.5-6) 3.95 8.33 -10.79 1 3 0 54 242.359 11

Activity (Go SEA)

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