UCSF

ZINC42594000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 1.27 3.95 -109.96 4 3 2 46 184.283 6
Mid Mid (pH 6-8) 1.27 2.5 -35.49 3 3 1 42 183.275 6
Mid Mid (pH 6-8) 1.27 2.86 -37.73 3 3 1 42 183.275 6

Activity (Go SEA)

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