UCSF

ZINC05694434

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 26 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) 2.00 8.34 -14.83 1 6 0 67 356.47 4
Mid Mid (pH 6-8) 2.00 8.9 -34.25 2 6 1 68 357.478 4

Activity (Go SEA)

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