UCSF

ZINC47523173

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 25 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) 1.98 7.06 -52.63 2 7 1 68 341.391 3
Mid Mid (pH 6-8) 1.98 4.69 -17.3 1 7 0 67 340.383 3

Activity (Go SEA)

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