UCSF

ZINC41679083

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 12 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) 0.12 2.81 -5.7 2 3 0 52 250.117 3
Lo Low (pH 4.5-6) 0.12 3.16 -44.69 3 3 1 54 251.125 3

Activity (Go SEA)

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