UCSF

ZINC44269149

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 4.35 7.38 -5.65 3 3 0 55 263.772 4
Mid Mid (pH 6-8) 4.35 7.41 -28.71 4 3 1 56 264.78 4

Activity (Go SEA)

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