UCSF

ZINC34667997

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 2.29 5.19 -16.79 2 7 0 78 416.497 8
Mid Mid (pH 6-8) 2.29 7.46 -50 3 7 1 79 417.505 8
Lo Low (pH 4.5-6) 2.29 7.8 -106.61 4 7 2 80 418.513 8

Activity (Go SEA)

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