UCSF

ZINC39322702

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 0.46 7.34 -21.9 1 12 0 152 473.236 8
Mid Mid (pH 6-8) 0.92 5.26 -61.83 0 12 -1 155 472.228 8

Activity (Go SEA)

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