UCSF

ZINC41708412

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 1.65 5.99 -11.95 0 4 0 34 276.38 3
Mid Mid (pH 6-8) 1.65 8 -57.63 1 4 1 36 277.388 3

Activity (Go SEA)

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