UCSF

ZINC37108182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 2.04 3.99 -45.23 3 3 1 44 276.198 5
Mid Mid (pH 6-8) 2.04 4.95 -34.69 3 3 1 44 276.198 5

Activity (Go SEA)

Rings

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