UCSF

ZINC13989223

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 30 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) 3.68 11.29 -7.51 0 4 0 38 395.506 9
Lo Low (pH 4.5-6) 3.68 13.96 -107.12 2 4 2 41 397.522 9
Lo Low (pH 4.5-6) 3.68 13.94 -100.75 2 4 2 41 397.522 9
Lo Low (pH 4.5-6) 3.68 14.22 -173.54 3 4 3 42 398.53 9

Activity (Go SEA)

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