UCSF

ZINC44624878

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 21 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) -0.88 5.61 -69.43 2 6 0 80 297.399 6
Mid Mid (pH 6-8) -0.88 7.53 -100.31 3 6 1 81 298.407 6

Activity (Go SEA)

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