UCSF

ZINC43429366

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 3.22 5.12 -6.22 3 3 0 55 254.399 4
Lo Low (pH 4.5-6) 3.22 4.98 -33.71 4 3 1 57 255.407 4

Activity (Go SEA)

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