UCSF

ZINC42459893

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.93 2.55 -33.89 4 4 1 68 199.303 4
Hi High (pH 8-9.5) 0.05 2.74 -48.89 5 4 1 70 199.303 3
Lo Low (pH 4.5-6) 0.93 3.01 -82.1 5 4 2 69 200.311 4

Activity (Go SEA)

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