UCSF

ZINC20304389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 4.27 5.39 -10.25 2 3 0 49 373.577 2
Mid Mid (pH 6-8) 4.27 6.06 -40.6 1 3 -1 52 372.569 2

Activity (Go SEA)

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