UCSF

ZINC13990034

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 23 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) 2.37 8.28 -6.89 0 3 0 29 303.409 7
Lo Low (pH 4.5-6) 2.37 10.75 -114.6 2 3 2 31 305.425 7
Lo Low (pH 4.5-6) 2.37 11.03 -193.52 3 3 3 33 306.433 7
Lo Low (pH 4.5-6) 2.37 8.72 -40.87 1 3 1 30 304.417 7

Activity (Go SEA)

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