UCSF

ZINC34348500

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 2.74 5.84 -16.93 1 4 0 53 276.361 1
Hi High (pH 8-9.5) 2.74 6.61 -51.24 0 4 -1 56 275.353 1

Activity (Go SEA)

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