UCSF

ZINC37821418

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 2.00 3.69 -43.48 4 4 1 68 259.414 10
Mid Mid (pH 6-8) 2.00 3.39 -8.96 3 4 0 67 258.406 10

Activity (Go SEA)

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