UCSF

ZINC38236361

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 18 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) 2.61 5.42 -49.95 3 3 1 53 283.182 2
Mid Mid (pH 6-8) 2.61 4.99 -6.23 2 3 0 52 282.174 2

Activity (Go SEA)

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