UCSF

ZINC09243769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 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) 4.37 9.29 -12.42 2 6 0 82 476.989 5
Hi High (pH 8-9.5) 4.35 10.49 -42.34 0 6 -1 81 475.981 5
Hi High (pH 8-9.5) 4.35 10.02 -53.74 0 6 -1 81 475.981 5
Hi High (pH 8-9.5) 4.37 10.27 -36.53 1 6 -1 85 475.981 5
Mid Mid (pH 6-8) 4.37 10.06 -50.01 1 6 -1 85 475.981 5
Lo Low (pH 4.5-6) 4.37 9.58 -38.46 3 6 1 83 477.997 5

Activity (Go SEA)

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