UCSF

ZINC35766292

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 14 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) 1.95 4.79 -95.79 5 3 2 56 199.342 5
Mid Mid (pH 6-8) -1.33 4.69 -25.33 5 3 1 56 198.334 5

Activity (Go SEA)

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