UCSF

ZINC43424604

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.37 2.27 -112.13 4 4 2 45 255.406 2
Hi High (pH 8-9.5) 0.37 1.66 -37.7 3 4 1 43 254.398 2

Activity (Go SEA)

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