UCSF

ZINC00560830

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 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) 4.75 10.74 -16.83 1 4 0 47 341.499 7
Mid Mid (pH 6-8) 4.75 11.15 -39.76 2 4 1 48 342.507 7

Activity (Go SEA)

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