UCSF

ZINC12737653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 24 No

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) 3.28 8.48 -44.28 1 5 -1 64 336.396 4
Mid Mid (pH 6-8) 2.55 8.79 -13.66 2 5 0 67 337.404 4

Activity (Go SEA)

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