UCSF

ZINC08062214

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 22 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) 2.35 -4.09 -15.84 1 5 0 66 338.816 4
Hi High (pH 8-9.5) 2.35 -3.52 -43.17 0 5 -1 68 337.808 4

Activity (Go SEA)

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