UCSF

ZINC36190128

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 3.10 9.24 -77.37 3 3 2 24 277.456 5
Mid Mid (pH 6-8) 3.10 7.1 -35.52 2 3 1 23 276.448 5

Activity (Go SEA)

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