UCSF

ZINC09270993

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 8.89 -69.89 2 9 0 116 469.538 10
Hi High (pH 8-9.5) 2.33 6.4 -57.56 1 9 -1 115 468.53 10
Mid Mid (pH 6-8) 2.78 9.91 -52.1 3 9 1 113 470.546 9

Activity (Go SEA)

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