UCSF

ZINC11906570

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 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) 1.22 -4.2 -16.77 1 6 0 79 331.397 4
Hi High (pH 8-9.5) 1.22 -3.62 -48.39 0 6 -1 81 330.389 4
Lo Low (pH 4.5-6) 1.22 -4.13 -41.08 2 6 1 81 332.405 4

Activity (Go SEA)

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