UCSF

ZINC54524910

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2010 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) -1.51 3.42 -80.24 3 6 0 89 227.264 3
Hi High (pH 8-9.5) -1.51 2.11 -56.38 2 6 -1 84 226.256 3

Activity (Go SEA)

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