UCSF

ZINC09007495

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 31 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) 1.45 7.58 -68.4 2 9 0 120 429.473 9
Mid Mid (pH 6-8) 0.87 8.09 -49.86 2 9 1 114 430.481 9
Mid Mid (pH 6-8) 1.89 8.2 -48.27 3 9 1 117 430.481 8

Activity (Go SEA)

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