UCSF

ZINC20452550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 23 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) 2.90 8.47 -35.96 1 3 1 11 336.569 8
Lo Low (pH 4.5-6) 2.90 10.76 -102.21 2 3 2 12 337.577 8
Lo Low (pH 4.5-6) 2.90 12.98 -194.07 3 3 3 13 338.585 8

Activity (Go SEA)

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