UCSF

ZINC37322299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 3.25 7.09 -42.47 2 2 1 20 275.391 4
Lo Low (pH 4.5-6) 3.25 9.6 -115.77 3 2 2 21 276.399 4

Activity (Go SEA)

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