UCSF

ZINC37133909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 3.48 2.94 -6.48 3 3 0 52 298.169 4
Mid Mid (pH 6-8) 3.48 3.68 -34.97 2 3 -1 55 297.161 4

Activity (Go SEA)

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