UCSF

ZINC70513505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 3.76 6.83 -83.02 4 3 2 41 286.504 9
Hi High (pH 8-9.5) 3.76 5.6 -35.45 3 3 1 37 285.496 9

Activity (Go SEA)

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