UCSF

ZINC40417011

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 2.87 7.86 -56.6 0 4 -1 58 231.275 3
Mid Mid (pH 6-8) 2.87 8.42 -50.2 1 4 0 59 232.283 3

Activity (Go SEA)

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