UCSF

ZINC37377586

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 5.47 8.2 -59.87 3 1 1 28 322.042 2
Mid Mid (pH 6-8) 5.47 7.87 -5.41 2 1 0 26 321.034 2

Activity (Go SEA)

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