UCSF

ZINC34384903

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 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) 2.21 6.17 -33.02 2 3 1 26 237.367 9
Hi High (pH 8-9.5) 2.21 4.02 -4.03 1 3 0 24 236.359 9
Mid Mid (pH 6-8) 2.21 5.43 -39.54 2 3 1 29 237.367 9
Mid Mid (pH 6-8) 2.21 7.55 -111.05 3 3 2 30 238.375 9

Activity (Go SEA)

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