UCSF

ZINC36723382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 0.43 4.75 -63.26 2 5 1 70 226.3 5
Hi High (pH 8-9.5) 0.43 3.56 -11.33 1 5 0 65 225.292 5

Activity (Go SEA)

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