UCSF

ZINC39341163

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 21 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) -2.07 4.97 -97.18 3 8 0 131 314.319 6
Mid Mid (pH 6-8) -2.07 4.6 -70.67 2 8 -1 130 313.311 6

Activity (Go SEA)

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