UCSF

ZINC43427069

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 No

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) 2.58 4.5 -2.61 0 2 0 12 262.191 3
Mid Mid (pH 6-8) 2.58 6.67 -37.61 1 2 1 14 263.199 3

Activity (Go SEA)

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