UCSF

ZINC54455751

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 15 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) -1.30 6.09 -56.16 1 6 1 55 210.261 2
Mid Mid (pH 6-8) -1.30 3.75 -17.05 0 6 0 54 209.253 2

Activity (Go SEA)

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