UCSF

ZINC37322002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 1.87 8.71 -79.26 3 4 2 36 304.463 4
Mid Mid (pH 6-8) 1.87 8.14 -37.87 2 4 1 34 303.455 4

Activity (Go SEA)

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