UCSF

ZINC52570291

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.30 5.07 -39.76 2 4 1 38 239.387 8
Hi High (pH 8-9.5) 1.30 3.73 -4.4 1 4 0 33 238.379 8
Lo Low (pH 4.5-6) 1.30 7.27 -117.35 3 4 2 39 240.395 8

Activity (Go SEA)

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