UCSF

ZINC37051443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 0.65 4.17 -37.88 2 3 1 34 194.302 2
Hi High (pH 8-9.5) 0.65 3.72 -5.31 1 3 0 30 193.294 2
Lo Low (pH 4.5-6) 0.65 5.11 -92.75 3 3 2 36 195.31 2

Activity (Go SEA)

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