UCSF

ZINC40461128

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 3.12 7.61 -33.54 1 3 1 17 263.405 5
Hi High (pH 8-9.5) 3.12 5.33 -4.42 0 3 0 16 262.397 5
Mid Mid (pH 6-8) 3.12 7.61 -34.44 1 3 1 17 263.405 5

Activity (Go SEA)

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