UCSF

ZINC40885764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 17 No

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 8.65 -35.08 1 3 1 21 254.785 3
Mid Mid (pH 6-8) 2.23 6.49 -5.03 0 3 0 19 253.777 3
Lo Low (pH 4.5-6) 2.23 8.96 -90.08 2 3 2 22 255.793 3

Activity (Go SEA)

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