UCSF

ZINC30902899

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 21 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) 1.05 5.68 -126.73 5 5 2 73 293.411 8
Mid Mid (pH 6-8) 1.05 4.46 -42.73 4 5 1 69 292.403 8
Mid Mid (pH 6-8) 1.05 3.68 -50.34 4 5 1 72 292.403 8

Activity (Go SEA)

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