UCSF

ZINC37825536

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -2.21 2.54 -60.35 3 5 1 96 195.246 5
Hi High (pH 8-9.5) -2.21 2.13 -17.74 2 5 0 94 194.238 5

Activity (Go SEA)

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