UCSF

ZINC12540750

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 24 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) 4.71 10.47 -12.28 1 4 0 46 341.842 3
Mid Mid (pH 6-8) 4.71 10.9 -31.78 2 4 1 48 342.85 3

Activity (Go SEA)

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