UCSF

ZINC53156568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 14 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) 0.60 5.91 -41.6 2 3 0 57 217.627 4
Hi High (pH 8-9.5) 0.60 4.57 -42.69 1 3 -1 52 216.619 4

Activity (Go SEA)

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