UCSF

ZINC44722560

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 1.49 4.75 -36.2 3 4 1 46 254.398 7
Lo Low (pH 4.5-6) 1.49 5.83 -103.03 4 4 2 50 255.406 7
Lo Low (pH 4.5-6) 1.49 3.49 -38.14 3 4 1 49 254.398 7

Activity (Go SEA)

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