UCSF

ZINC02919363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 25 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) 5.26 14.62 -11.55 0 4 0 43 350.853 3
Mid Mid (pH 6-8) 5.27 15.46 -46.2 2 4 1 47 351.861 3
Lo Low (pH 4.5-6) 5.26 14.93 -35.88 1 4 1 45 351.861 3

Activity (Go SEA)

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