UCSF

ZINC34667980

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 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) 2.08 4.99 -13.71 2 7 0 78 396.491 9
Mid Mid (pH 6-8) 2.08 7.22 -47.78 3 7 1 79 397.499 9
Lo Low (pH 4.5-6) 2.08 7.57 -105.15 4 7 2 80 398.507 9

Activity (Go SEA)

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