UCSF

ZINC42432016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 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) 3.60 8.75 -9.62 1 2 0 29 262.765 3
Mid Mid (pH 6-8) 3.60 8.84 -34.71 2 2 1 30 263.773 3

Activity (Go SEA)

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