UCSF

ZINC16100739

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 21 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) 3.73 5.53 -8.9 1 4 0 55 309.362 6
Hi High (pH 8-9.5) 3.73 5.59 -44.11 0 4 -1 57 308.354 6

Activity (Go SEA)

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