UCSF

ZINC36664823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 5.55 8.19 -35.56 3 2 1 29 295.535 3
Hi High (pH 8-9.5) 5.55 8.4 -31.61 3 2 1 29 295.535 3
Mid Mid (pH 6-8) 5.55 9.03 -102.88 4 2 2 33 296.543 3

Activity (Go SEA)

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