UCSF

ZINC20564196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 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) 2.62 7.84 -44.52 3 2 1 37 256.369 5
Hi High (pH 8-9.5) 2.62 7.45 -4.38 2 2 0 35 255.361 5

Activity (Go SEA)

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