UCSF

ZINC29410811

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 21 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) -1.65 0.91 -121.4 3 8 -2 142 294.263 7
Lo Low (pH 4.5-6) -1.65 -0.21 -70.05 4 8 -1 139 295.271 7

Activity (Go SEA)

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