UCSF

ZINC37087803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.23 9.23 -71.03 3 4 1 61 297.444 6
Mid Mid (pH 6-8) 2.23 8.29 -56.9 2 4 0 57 296.436 6
Mid Mid (pH 6-8) 2.23 6.71 -28.9 2 4 0 60 296.436 6

Activity (Go SEA)

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