UCSF

ZINC04458907

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2005 25 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) 4.11 10.16 -11.3 2 3 0 44 323.399 3
Lo Low (pH 4.5-6) 4.11 10.44 -42.04 3 3 1 46 324.407 3

Activity (Go SEA)

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