UCSF

ZINC06015308

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2006 32 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) 5.22 10.63 -18.93 2 5 0 67 434.511 4
Mid Mid (pH 6-8) 5.35 9.38 -10.59 1 5 0 68 434.511 4
Mid Mid (pH 6-8) 5.35 10.25 -12.13 1 5 0 68 434.511 4

Activity (Go SEA)

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