UCSF

ZINC52982442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 18 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) 4.43 10.07 -52.49 0 3 -1 43 246.33 2
Mid Mid (pH 6-8) 4.43 9.89 -35.25 1 3 0 45 247.338 2

Activity (Go SEA)

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