UCSF

ZINC41225821

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 15 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) 1.17 6.03 -83.6 2 3 2 12 213.369 3
Mid Mid (pH 6-8) 1.17 3.66 -32.79 1 3 1 11 212.361 3

Activity (Go SEA)

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