UCSF

ZINC37042310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -1.28 0.17 -94.9 6 6 2 93 274.39 4
Mid Mid (pH 6-8) -1.28 -3.25 -16.14 4 6 0 87 272.374 4
Mid Mid (pH 6-8) -1.28 -1.05 -49.08 5 6 1 89 273.382 4

Activity (Go SEA)

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