UCSF

ZINC09243761

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 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) 5.10 7.64 -15.06 3 7 0 99 483.996 9
Ref Reference (pH 7) 5.10 7.59 -11.64 3 7 0 99 483.996 9
Hi High (pH 8-9.5) 5.08 7.42 -53.77 1 7 -1 98 482.988 9
Hi High (pH 8-9.5) 5.08 7.38 -49.73 1 7 -1 98 482.988 9
Hi High (pH 8-9.5) 5.10 8.38 -46.98 2 7 -1 102 482.988 9
Mid Mid (pH 6-8) 5.10 8.35 -49.34 2 7 -1 102 482.988 9

Activity (Go SEA)

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