UCSF

ZINC09015262

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 27 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) 2.63 6.67 -60.27 1 5 -1 81 368.384 6
Mid Mid (pH 6-8) 3.08 6.97 -13.53 2 5 0 78 369.392 5
Mid Mid (pH 6-8) 2.05 6.96 -12.39 1 5 0 75 369.392 6

Activity (Go SEA)

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