UCSF

ZINC09243778

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 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) 4.38 9.86 -14.91 2 6 0 82 444.922 4
Ref Reference (pH 7) 4.38 9.49 -13.12 2 6 0 82 444.922 4
Hi High (pH 8-9.5) 4.36 10.07 -42.84 0 6 -1 81 443.914 4
Hi High (pH 8-9.5) 4.36 9.83 -52.18 0 6 -1 81 443.914 4
Hi High (pH 8-9.5) 4.38 10.63 -37.32 1 6 -1 85 443.914 4
Mid Mid (pH 6-8) 4.38 10.26 -49.81 1 6 -1 85 443.914 4
Lo Low (pH 4.5-6) 4.38 9.34 -39.03 3 6 1 83 445.93 4

Activity (Go SEA)

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