UCSF

ZINC35017130

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 5.30 9.46 -2.84 1 1 0 12 273.445 6
Mid Mid (pH 6-8) 5.30 10.53 -37.22 2 1 1 17 274.453 6

Activity (Go SEA)

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