UCSF

ZINC37039123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.33 1.57 -51.17 3 5 1 68 302.395 4
Lo Low (pH 4.5-6) 0.33 3.41 -124.96 4 5 2 69 303.403 4

Activity (Go SEA)

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