UCSF

ZINC13081129

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 26 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) 2.13 6.05 -62.53 1 5 -1 81 354.357 6
Lo Low (pH 4.5-6) 2.13 5.23 -16.17 2 5 0 78 355.365 6

Activity (Go SEA)

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