UCSF

ZINC31840809

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 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) 1.47 5.23 -52.62 1 5 -1 86 245.258 3
Lo Low (pH 4.5-6) 1.47 3.25 -10.58 2 5 0 83 246.266 3

Activity (Go SEA)

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