UCSF

ZINC43425127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.57 4.35 -43.37 3 4 1 49 291.415 5
Hi High (pH 8-9.5) 0.57 3.6 -4.69 2 4 0 48 290.407 5
Lo Low (pH 4.5-6) 0.57 6.27 -126.2 4 4 2 51 292.423 5

Activity (Go SEA)

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