UCSF

ZINC60222161

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 11 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) 1.60 1.82 -114.43 6 2 2 55 160.305 3
Hi High (pH 8-9.5) 1.60 1.65 -35.92 5 2 1 54 159.297 3
Mid Mid (pH 6-8) 1.60 1.58 -35.87 5 2 1 54 159.297 3

Activity (Go SEA)

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