UCSF

ZINC04791076

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 31 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) 5.04 11.3 -15.99 1 7 0 74 417.465 6
Mid Mid (pH 6-8) 5.04 11.74 -30.92 2 7 1 75 418.473 6

Activity (Go SEA)

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