UCSF

ZINC61804063

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 17 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) 1.89 5.93 -52.81 0 4 -1 56 233.291 1
Mid Mid (pH 6-8) 1.89 4.92 -9.9 1 4 0 53 234.299 1
Mid Mid (pH 6-8) 1.89 3.94 -28.45 1 4 0 58 234.299 1

Activity (Go SEA)

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