UCSF

ZINC44686332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 No

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) 2.56 7.67 -35.16 2 3 1 30 303.398 7
Lo Low (pH 4.5-6) 2.56 8.86 -113.4 3 3 2 34 304.406 7
Lo Low (pH 4.5-6) 2.56 6.46 -42.98 2 3 1 33 303.398 7

Activity (Go SEA)

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