UCSF

ZINC43247288

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 0.43 1.02 -41.41 4 3 1 51 255.407 3
Hi High (pH 8-9.5) 0.43 3.05 -33.68 4 3 1 51 255.407 3
Hi High (pH 8-9.5) 0.43 0.71 -3.06 3 3 0 49 254.399 3
Lo Low (pH 4.5-6) 0.43 3.38 -113.8 5 3 2 52 256.415 3

Activity (Go SEA)

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