UCSF

ZINC12689632

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 26 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) 2.61 6.26 -13.45 1 6 0 75 368.462 7
Lo Low (pH 4.5-6) 2.61 6.83 -99.37 3 6 2 78 370.478 7
Lo Low (pH 4.5-6) 2.61 6.7 -48.73 2 6 1 76 369.47 7

Activity (Go SEA)

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