UCSF

ZINC04330279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 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) 2.58 3.89 -17.18 1 6 0 92 290.282 3
Hi High (pH 8-9.5) 2.64 1.76 -48.86 0 6 -1 98 289.274 3

Activity (Go SEA)

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