UCSF

ZINC53126615

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 3.07 4.35 -39.37 4 4 1 66 291.415 5
Hi High (pH 8-9.5) 3.07 3.11 -10.02 3 4 0 61 290.407 5

Activity (Go SEA)

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