UCSF

ZINC19792856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 20 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) 1.31 5.84 -15.89 1 4 0 59 268.316 4
Lo Low (pH 4.5-6) 1.31 6.18 -47.13 2 4 1 60 269.324 4

Activity (Go SEA)

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