UCSF

ZINC19834302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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 2.91 -35.15 4 3 1 55 244.721 5
Mid Mid (pH 6-8) -1.04 5.64 -31.85 5 3 1 56 244.721 5

Activity (Go SEA)

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