UCSF

ZINC00503387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 1.42 3.1 -8.1 1 3 0 46 189.214 1
Ref Reference (pH 7) 1.42 3.09 -8.09 1 3 0 46 189.214 1
Ref Reference (pH 7) 1.42 3.39 -7.79 1 3 0 46 189.214 1
Mid Mid (pH 6-8) 1.60 0.57 -43.75 0 3 -1 52 188.206 1
Mid Mid (pH 6-8) 1.60 0.56 -43.93 0 3 -1 52 188.206 1
Mid Mid (pH 6-8) 1.60 0.86 -43.95 0 3 -1 52 188.206 1
Mid Mid (pH 6-8) 1.60 0.86 -43.94 0 3 -1 52 188.206 1

Activity (Go SEA)

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