UCSF

ZINC42239903

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 3.35 5.67 -3.86 0 2 0 12 302.187 3
Lo Low (pH 4.5-6) 3.35 7.93 -38.81 1 2 1 14 303.195 3

Activity (Go SEA)

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