UCSF

ZINC42825321

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 0.61 3.15 -121.39 5 3 2 53 202.342 5
Mid Mid (pH 6-8) 0.61 2.75 -36.89 4 3 1 52 201.334 5

Activity (Go SEA)

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