UCSF

ZINC27550281

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 26 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) 1.40 6.68 -72.94 1 6 -1 86 355.414 4
Mid Mid (pH 6-8) -1.34 5.73 -30.55 2 6 0 89 356.422 3

Activity (Go SEA)

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