UCSF

ZINC36743463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 3.92 3.9 -42.25 2 4 -1 74 441.071 3
Lo Low (pH 4.5-6) 3.92 3.36 -8.23 3 4 0 72 442.079 3

Activity (Go SEA)

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