UCSF

ZINC00524431

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 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) 3.95 6.97 -8.23 0 2 0 22 225.291 3
Lo Low (pH 4.5-6) 3.95 7.4 -34.89 1 2 1 23 226.299 3
Lo Low (pH 4.5-6) 3.95 8.11 -30.78 1 2 1 23 226.299 3

Activity (Go SEA)

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