UCSF

ZINC53140917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.75 4.97 -42.27 3 4 1 67 260.361 5
Hi High (pH 8-9.5) 1.75 4.69 -5.53 2 4 0 65 259.353 5

Activity (Go SEA)

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