UCSF

ZINC38002422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 5.63 9.85 -41.96 2 1 1 17 390.164 4
Hi High (pH 8-9.5) 5.63 8.92 -2.67 1 1 0 12 389.156 4

Activity (Go SEA)

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