UCSF

ZINC44684777

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 3.92 8.65 -35.47 2 3 1 30 350.28 4
Lo Low (pH 4.5-6) 3.92 7.57 -42.28 2 3 1 33 350.28 4
Lo Low (pH 4.5-6) 3.92 9.92 -110.89 3 3 2 34 351.288 4

Activity (Go SEA)

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