UCSF

ZINC36754435

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 0.02 2.02 -46.1 3 5 1 70 239.295 4
Lo Low (pH 4.5-6) 0.02 4.29 -103.09 4 5 2 72 240.303 4

Activity (Go SEA)

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