UCSF

ZINC12601453

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 33 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) 3.15 11.24 -25.86 1 10 0 113 462.491 5
Mid Mid (pH 6-8) 3.15 11.72 -62.36 2 10 1 114 463.499 5

Activity (Go SEA)

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