UCSF

ZINC57815184

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 21 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) 3.79 5.16 -12.17 3 4 0 64 301.777 2
Mid Mid (pH 6-8) 3.79 5.64 -23.1 4 4 1 65 302.785 2

Activity (Go SEA)

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