UCSF

ZINC05445541

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 27 No

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) 3.10 6.9 -55.53 0 6 -1 79 386.811 5
Mid Mid (pH 6-8) 3.54 -0.25 -20.04 1 6 0 76 387.819 4

Activity (Go SEA)

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