UCSF

ZINC20618544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 28 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) 1.52 3.28 -41.21 2 9 0 115 405.432 6
Hi High (pH 8-9.5) 1.52 2.87 -53.7 1 9 -1 117 404.424 6
Hi High (pH 8-9.5) 1.53 2.81 -46.75 2 9 -1 121 404.424 6

Activity (Go SEA)

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