UCSF

ZINC09015338

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 29 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) 5.41 11.93 -56.08 0 4 -1 60 394.466 8
Mid Mid (pH 6-8) 5.86 11.95 -15.96 1 4 0 58 395.474 7
Mid Mid (pH 6-8) 4.83 12.2 -10.25 0 4 0 54 395.474 8

Activity (Go SEA)

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