UCSF

ZINC19371083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 22 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) 1.78 3.18 -126.65 6 4 2 74 302.418 9
Mid Mid (pH 6-8) 1.78 2.02 -42.97 5 4 1 69 301.41 9

Activity (Go SEA)

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