UCSF

ZINC41243953

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 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) 0.80 0.49 -11.17 2 4 0 50 224.235 2
Mid Mid (pH 6-8) 0.80 1.56 -53.19 3 4 1 55 225.243 2

Activity (Go SEA)

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