UCSF

ZINC40175619

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 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) 2.48 8.18 -26.99 1 6 1 62 305.354 6
Mid Mid (pH 6-8) 2.48 7.7 -9.54 0 6 0 61 304.346 6

Activity (Go SEA)

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