UCSF

ZINC36889060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 2.52 7.94 -49.46 2 3 1 34 280.342 5
Hi High (pH 8-9.5) 2.52 6.57 -12.27 1 3 0 30 279.334 5

Activity (Go SEA)

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