UCSF

ZINC34094122

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 24 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) 2.68 9.2 -81.1 3 4 2 24 334.552 10
Hi High (pH 8-9.5) 2.68 6.74 -36.68 2 4 1 23 333.544 10
Mid Mid (pH 6-8) 2.68 9.03 -97.8 3 4 2 24 334.552 10
Mid Mid (pH 6-8) 2.68 11.53 -182.49 4 4 3 25 335.56 10

Activity (Go SEA)

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