UCSF

ZINC04301722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 36 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) 3.09 12.3 -23.32 0 10 0 121 483.484 6
Mid Mid (pH 6-8) -0.83 14.12 -27.73 1 10 1 120 484.492 7

Activity (Go SEA)

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