UCSF

ZINC19916328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 1.53 4.4 -8.38 1 4 0 43 242.278 3
Lo Low (pH 4.5-6) 1.53 4.78 -39.43 2 4 1 45 243.286 3

Activity (Go SEA)

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