UCSF

ZINC37332356

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 14 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 4.57 -35.65 1 3 1 25 197.302 1
Mid Mid (pH 6-8) 0.80 2.19 -5.84 0 3 0 24 196.294 1
Mid Mid (pH 6-8) 0.80 4.25 -31.92 1 3 1 25 197.302 1

Activity (Go SEA)

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