UCSF

ZINC37809241

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 11 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) -1.23 -1.84 -40.35 4 4 1 68 161.225 4
Hi High (pH 8-9.5) -1.23 -2.14 -6.17 3 4 0 67 160.217 4

Activity (Go SEA)

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