UCSF

ZINC40162751

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2010 21 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) 1.67 4.39 -40.96 4 5 1 63 311.837 5
Hi High (pH 8-9.5) 1.67 2.02 -11.56 3 5 0 62 310.829 5
Mid Mid (pH 6-8) 1.67 4.27 -43.2 4 5 1 63 311.837 5

Activity (Go SEA)

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