UCSF

ZINC12540882

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 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) 2.92 9.08 -9.27 1 8 0 95 405.458 7
Mid Mid (pH 6-8) 2.92 9.52 -36.69 2 8 1 96 406.466 7

Activity (Go SEA)

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