UCSF

ZINC39953805

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 1.93 2.76 -10.1 1 4 0 59 203.197 2
Mid Mid (pH 6-8) 1.93 3.53 -46.05 0 4 -1 62 202.189 2

Activity (Go SEA)

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