UCSF

ZINC51489084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 17 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) 1.88 7.38 -30.64 2 4 1 47 231.323 4
Hi High (pH 8-9.5) 1.88 6.35 -6.54 1 4 0 43 230.315 4

Activity (Go SEA)

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