UCSF

ZINC37051757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.17 5.92 -90.37 3 5 2 42 293.459 5
Mid Mid (pH 6-8) 0.17 5.82 -111.02 3 5 2 42 293.459 5
Mid Mid (pH 6-8) 0.17 4.44 -37.88 2 5 1 38 292.451 5
Mid Mid (pH 6-8) 0.17 3.55 -42.95 2 5 1 41 292.451 5

Activity (Go SEA)

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