UCSF

ZINC37809447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 0.96 2.33 -42.25 4 4 1 68 231.36 8
Hi High (pH 8-9.5) 0.96 2.03 -8 3 4 0 67 230.352 8

Activity (Go SEA)

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