UCSF

ZINC19953977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 3.45 5.59 -36.48 2 3 1 29 269.453 5
Lo Low (pH 4.5-6) 3.45 7.94 -116.8 3 3 2 30 270.461 5

Activity (Go SEA)

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