UCSF

ZINC39983196

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 2.79 8.21 -11.65 0 5 0 42 358.482 5
Mid Mid (pH 6-8) 2.79 10.42 -51.68 1 5 1 43 359.49 5

Activity (Go SEA)

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