UCSF

ZINC20442264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 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) 1.63 4.52 -106.14 4 3 2 35 241.423 6
Hi High (pH 8-9.5) 1.63 2.1 -40.85 3 3 1 34 240.415 6
Mid Mid (pH 6-8) 1.63 3.28 -118.91 4 3 2 35 241.423 6
Lo Low (pH 4.5-6) 1.63 5.85 -217.45 5 3 3 37 242.431 6

Activity (Go SEA)

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