UCSF

ZINC20230549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 10 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) 1.12 6.1 -98.46 2 2 2 9 146.278 5
Mid Mid (pH 6-8) 1.12 3.95 -32.06 1 2 1 8 145.27 5
Mid Mid (pH 6-8) 1.12 3.57 -30.8 1 2 1 8 145.27 5

Activity (Go SEA)

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