UCSF

ZINC09270997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 No

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) 2.33 9.35 -68.43 2 9 0 116 469.538 10
Hi High (pH 8-9.5) 2.33 6.87 -53.19 1 9 -1 115 468.53 10
Mid Mid (pH 6-8) 1.75 1.28 -52.72 2 9 1 110 470.546 10
Mid Mid (pH 6-8) 2.78 9.34 -46.21 3 9 1 113 470.546 9

Activity (Go SEA)

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