UCSF

ZINC19499942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 2.87 7.01 -34.15 1 3 1 17 263.405 5
Mid Mid (pH 6-8) 2.87 7.1 -35.26 1 3 1 17 263.405 5
Mid Mid (pH 6-8) 2.87 4.77 -3.92 0 3 0 16 262.397 5

Activity (Go SEA)

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