UCSF

ZINC37989378

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) -0.12 5.45 -52.18 1 6 1 58 311.793 3
Hi High (pH 8-9.5) -0.12 3.06 -15.8 0 6 0 57 310.785 3

Activity (Go SEA)

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