UCSF

ZINC19516722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 12 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) -0.40 0.45 -51.17 4 4 1 70 186.26 2
Mid Mid (pH 6-8) -0.22 -0.63 -42.89 3 4 0 76 185.252 2

Activity (Go SEA)

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