UCSF

ZINC08845383

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 4.83 8.12 -16.53 3 6 0 89 463.896 4
Ref Reference (pH 7) 4.83 8.06 -12.24 3 6 0 89 463.896 4
Hi High (pH 8-9.5) 4.81 7.92 -54.08 1 6 -1 88 462.888 4
Hi High (pH 8-9.5) 4.81 8.12 -50.58 1 6 -1 88 462.888 4
Hi High (pH 8-9.5) 4.83 8.88 -42.65 2 6 -1 92 462.888 4
Mid Mid (pH 6-8) 4.83 8.85 -48.96 2 6 -1 92 462.888 4

Activity (Go SEA)

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