UCSF

ZINC09495495

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 30 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) 2.17 7.01 -19.57 2 7 0 99 431.558 4
Hi High (pH 8-9.5) 3.54 3.39 -46.71 1 7 -1 106 430.55 4
Mid Mid (pH 6-8) 3.47 6.88 -55.89 1 7 -1 102 430.55 4
Mid Mid (pH 6-8) 2.24 6.7 -52.76 3 7 1 104 432.566 4

Activity (Go SEA)

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