UCSF

ZINC04989401

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 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) 4.19 12.08 -120.31 3 2 2 21 350.428 6
Mid Mid (pH 6-8) 4.19 10.89 -40.39 2 2 1 16 349.42 6

Activity (Go SEA)

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