UCSF

ZINC31993117

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) -1.13 -2.68 -44.44 4 4 1 60 189.279 5
Mid Mid (pH 6-8) -1.13 -0.34 -107.57 5 4 2 62 190.287 5
Mid Mid (pH 6-8) -1.13 -0.66 -35.33 4 4 1 60 189.279 5

Activity (Go SEA)

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