UCSF

ZINC06783937

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 29 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) 6.63 13.33 -9.62 2 5 0 63 383.451 7
Mid Mid (pH 6-8) 6.63 13.41 -25.05 3 5 1 64 384.459 7

Activity (Go SEA)

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