UCSF

ZINC20043050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 16 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) 1.72 7.02 -77.26 3 3 2 21 231.428 9
Hi High (pH 8-9.5) 1.72 4.69 -32.27 2 3 1 20 230.42 9
Mid Mid (pH 6-8) 1.72 5.88 -97.11 3 3 2 24 231.428 9
Lo Low (pH 4.5-6) 1.72 8.23 -185.18 4 3 3 25 232.436 9

Activity (Go SEA)

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