UCSF

ZINC36876836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.23 5.88 -46.23 4 3 1 56 262.352 4
Hi High (pH 8-9.5) 1.23 5.62 -6.64 3 3 0 55 261.344 4
Hi High (pH 8-9.5) 1.23 6.19 -30.02 4 3 1 56 262.352 4
Mid Mid (pH 6-8) 1.23 6.45 -121.45 5 3 2 58 263.36 4

Activity (Go SEA)

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