UCSF

ZINC71128879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2011 21 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) 3.28 6.29 -5.61 2 4 0 54 291.391 4
Lo Low (pH 4.5-6) 3.28 6.14 -45.56 3 4 1 55 292.399 4

Activity (Go SEA)

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