UCSF

ZINC16127006

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 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) 3.75 5.06 -46.59 0 5 -1 67 356.37 7
Mid Mid (pH 6-8) 3.75 5.01 -8.74 1 5 0 65 357.378 7

Activity (Go SEA)

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