UCSF

ZINC43425259

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) 0.55 3.03 -47.54 3 4 1 49 289.399 1
Hi High (pH 8-9.5) 0.55 2.73 -4.21 2 4 0 48 288.391 1
Lo Low (pH 4.5-6) 0.55 5.15 -131.53 4 4 2 51 290.407 1

Activity (Go SEA)

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