UCSF

ZINC46823368

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2010 25 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) -1.13 3.76 -25.16 1 9 0 92 346.391 5
Mid Mid (pH 6-8) -1.13 6.02 -64.85 2 9 1 93 347.399 5

Activity (Go SEA)

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