UCSF

ZINC24949116

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 12 No

CAS Number: 69-93-2

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) -1.01 -6.29 -29.46 1 7 -1 112 165.088 0
Mid Mid (pH 6-8) -1.47 -5.18 -10.68 2 7 0 109 166.096 0
Mid Mid (pH 6-8) -1.01 -6.95 -35.35 1 7 -1 112 165.088 0

Activity (Go SEA)

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