UCSF

ZINC37821440

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) 2.29 3.98 -43.36 4 4 1 68 259.414 11
Mid Mid (pH 6-8) 2.29 3.67 -9.85 3 4 0 67 258.406 11

Activity (Go SEA)

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