UCSF

ZINC40162687

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) 1.26 4.22 -37.89 4 5 1 63 311.837 5
Hi High (pH 8-9.5) 1.26 1.85 -8.21 3 5 0 62 310.829 5
Mid Mid (pH 6-8) 1.26 4.1 -39.4 4 5 1 63 311.837 5

Activity (Go SEA)

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