UCSF

ZINC31554464

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 14 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) -0.38 -1.1 -21.38 3 5 0 85 211.246 1
Mid Mid (pH 6-8) -0.38 -1.1 -43.72 3 5 0 88 211.246 1
Mid Mid (pH 6-8) -0.38 -1.5 -39.13 2 5 -1 87 210.238 1
Mid Mid (pH 6-8) -0.38 -0.7 -66.05 4 5 1 86 212.254 1

Activity (Go SEA)

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