UCSF

ZINC04865244

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 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) 2.91 9.13 -50.3 0 5 -1 70 386.374 7
Mid Mid (pH 6-8) 3.36 1.15 -25.62 1 5 0 66 387.382 6
Mid Mid (pH 6-8) 2.33 1.35 -15.89 0 5 0 63 387.382 7

Activity (Go SEA)

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