UCSF

ZINC09781146

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 27 Yes

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) 4.59 7.22 -12.89 2 5 0 59 421.25 5
Mid Mid (pH 6-8) 4.77 7.7 -35.07 3 5 1 64 422.258 5

Activity (Go SEA)

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