UCSF

ZINC06263801

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 13 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) 0.89 3.87 -40.23 3 4 1 59 182.247 5
Mid Mid (pH 6-8) 0.89 3.41 -14.18 2 4 0 58 181.239 5
Mid Mid (pH 6-8) 0.89 3.38 -13.49 2 4 0 58 181.239 5

Activity (Go SEA)

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