UCSF

ZINC37994450

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) -0.86 1.28 -53.39 1 7 -1 110 293.346 5
Mid Mid (pH 6-8) -0.40 -0.84 -95.66 0 7 -2 113 292.338 5

Activity (Go SEA)

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