UCSF

ZINC48298311

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 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) 4.30 11.31 -35.45 2 1 1 17 268.424 5
Hi High (pH 8-9.5) 4.30 10.42 -2.71 1 1 0 12 267.416 5

Activity (Go SEA)

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