UCSF

ZINC40175518

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 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) 4.09 10.47 -4.19 0 4 0 42 340.345 7
Mid Mid (pH 6-8) 4.09 10.88 -34.97 1 4 1 44 341.353 7

Activity (Go SEA)

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