UCSF

ZINC22174188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 1.71 4.12 -40.25 3 2 1 31 229.294 5
Hi High (pH 8-9.5) 1.71 5.92 -23.4 3 2 1 30 229.294 5
Mid Mid (pH 6-8) 1.71 5.85 -109.02 4 2 2 32 230.302 5

Activity (Go SEA)

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