UCSF

ZINC36908132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 1.76 7.42 -79.37 3 3 2 21 241.423 4
Hi High (pH 8-9.5) 1.76 4.96 -29.89 2 3 1 20 240.415 4

Activity (Go SEA)

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