UCSF

ZINC23228139

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 24 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) 4.12 9.31 -45.02 2 4 1 37 330.496 5
Mid Mid (pH 6-8) 4.12 6.84 -10.53 1 4 0 36 329.488 5

Activity (Go SEA)

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