UCSF

ZINC09461229

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 28 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) 4.68 10.42 -36.83 0 5 -1 70 443.317 7
Mid Mid (pH 6-8) 5.13 8.48 -27.47 1 5 0 67 444.325 6
Mid Mid (pH 6-8) 4.10 9.46 -22.2 0 5 0 64 444.325 7

Activity (Go SEA)

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