UCSF

ZINC47913018

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 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) 2.65 6.7 -9.65 3 4 0 66 245.302 3
Mid Mid (pH 6-8) 2.65 6.36 -6.9 2 4 0 65 244.294 3

Activity (Go SEA)

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