UCSF

ZINC19499941

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 7.04 -32.59 1 3 1 17 263.405 5
Mid Mid (pH 6-8) 2.87 7.38 -35.75 1 3 1 17 263.405 5
Mid Mid (pH 6-8) 2.87 5.05 -3.42 0 3 0 16 262.397 5

Activity (Go SEA)

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