UCSF

ZINC05563143

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 22 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) 2.68 2.14 -36.65 1 7 -1 99 366.195 3
Lo Low (pH 4.5-6) 2.22 4.66 -5.47 2 7 0 96 367.203 3

Activity (Go SEA)

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