UCSF

ZINC34474887

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 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) 0.28 2.65 -107.99 4 3 2 41 186.299 2
Mid Mid (pH 6-8) 0.28 1.38 -29.6 3 3 1 37 185.291 2
Mid Mid (pH 6-8) 0.28 0.56 -32.63 3 3 1 40 185.291 2

Activity (Go SEA)

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