UCSF

ZINC37030331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.35 2.58 -91.39 5 5 2 70 239.319 6
Hi High (pH 8-9.5) 0.35 0.1 -49.69 4 5 1 69 238.311 6
Hi High (pH 8-9.5) 0.35 -0.29 -9.92 3 5 0 68 237.303 6
Hi High (pH 8-9.5) 0.35 2.18 -42.53 4 5 1 69 238.311 6

Activity (Go SEA)

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