UCSF

ZINC37782269

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.98 6.01 -38.01 2 4 1 37 254.398 5
Lo Low (pH 4.5-6) 0.98 7.12 -95.78 3 4 2 41 255.406 5
Lo Low (pH 4.5-6) 0.98 4.88 -32.1 2 4 1 40 254.398 5

Activity (Go SEA)

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