UCSF

ZINC20483370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 No

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) 1.41 3.28 -57.04 5 6 1 95 345.217 5
Hi High (pH 8-9.5) 1.41 2.89 -25.37 4 6 0 93 344.209 5

Activity (Go SEA)

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