UCSF

ZINC20899208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 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) 2.71 10.85 -10.37 1 7 0 75 453.545 1
Hi High (pH 8-9.5) 3.23 10.23 -38.87 0 7 -1 81 452.537 2
Mid Mid (pH 6-8) 3.05 9.38 -35.35 1 7 0 80 453.545 2
Lo Low (pH 4.5-6) 2.71 9.3 -37.03 1 7 1 75 454.553 1

Activity (Go SEA)

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