UCSF

ZINC37871710

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 20 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) 2.04 5.15 -33.45 2 4 1 48 272.372 6
Mid Mid (pH 6-8) 2.04 4.63 -6.87 1 4 0 47 271.364 6
Mid Mid (pH 6-8) 2.04 5.6 -74.93 3 4 2 50 273.38 6

Activity (Go SEA)

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