UCSF

ZINC19743409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 24 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) 3.57 9.2 -36.68 1 3 1 17 345.532 5
Hi High (pH 8-9.5) 3.57 6.98 -4.77 0 3 0 16 344.524 5

Activity (Go SEA)

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