UCSF

ZINC45692436

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.99 6.77 -35.94 2 4 1 38 360.316 9
Mid Mid (pH 6-8) 2.99 7.15 -34.73 2 4 1 35 360.316 9

Activity (Go SEA)

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