UCSF

ZINC36828903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) -0.90 0.21 -19.83 1 7 0 91 285.325 2
Hi High (pH 8-9.5) -0.45 -1.8 -51.46 0 7 -1 94 284.317 2

Activity (Go SEA)

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