UCSF

ZINC49949311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 17 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) 2.88 8.32 -35.3 1 4 1 40 246.371 12
Mid Mid (pH 6-8) 2.88 6.36 -6.22 0 4 0 39 245.363 12

Activity (Go SEA)

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