UCSF

ZINC19919115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 1.80 2.95 -43.3 3 3 1 40 223.34 7
Hi High (pH 8-9.5) 1.80 3.39 -65.17 2 3 0 43 222.332 7
Mid Mid (pH 6-8) 1.80 3.52 -37.85 3 3 1 37 223.34 7

Activity (Go SEA)

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