UCSF

ZINC21785137

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.81 10.65 -34.62 1 3 1 22 272.416 5
Mid Mid (pH 6-8) 3.81 8.18 -8.51 0 3 0 21 271.408 5
Mid Mid (pH 6-8) 3.81 8.57 -22.94 1 3 1 22 272.416 5

Activity (Go SEA)

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