UCSF

ZINC03184169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 28 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) 3.67 5.19 -12.31 3 7 0 100 377.4 6
Hi High (pH 8-9.5) 3.67 5.97 -56.22 2 7 -1 103 376.392 6
Lo Low (pH 4.5-6) 3.68 5.54 -33.94 4 7 1 102 378.408 6

Activity (Go SEA)

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