UCSF

ZINC21966447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 19 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) 2.13 7.4 -36.41 2 3 1 29 256.373 6
Hi High (pH 8-9.5) 2.13 4.87 -5.21 1 3 0 28 255.365 6
Hi High (pH 8-9.5) 2.13 5.97 -36.5 2 3 1 33 256.373 6
Lo Low (pH 4.5-6) 2.13 7.78 -84.61 3 3 2 31 257.381 6

Activity (Go SEA)

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