UCSF

ZINC04371095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 30 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) 0.73 3.82 -17.16 4 10 0 134 417.466 9
Mid Mid (pH 6-8) 0.73 4.25 -47.27 5 10 1 136 418.474 9

Activity (Go SEA)

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