UCSF

ZINC61721808

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 0.85 5.49 -48.36 1 6 -1 87 264.305 3
Lo Low (pH 4.5-6) 0.85 3.53 -11.73 2 6 0 84 265.313 3

Activity (Go SEA)

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