UCSF

ZINC37743040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 14 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) 3.25 5.6 -4.46 1 2 0 36 194.322 4
Mid Mid (pH 6-8) 3.25 6.81 -39.38 2 2 1 40 195.33 4

Activity (Go SEA)

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