UCSF

ZINC62955139

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 2.22 7.46 -39.98 2 4 1 38 265.425 4
Hi High (pH 8-9.5) 2.22 6 -4 1 4 0 33 264.417 4

Activity (Go SEA)

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