UCSF

ZINC42875359

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 1.96 4.46 -10.67 0 5 0 58 257.245 4
Lo Low (pH 4.5-6) 1.96 4.93 -44.87 1 5 1 59 258.253 4

Activity (Go SEA)

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