UCSF

ZINC36664907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 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) 4.47 8.71 -35.58 2 2 1 29 261.433 4
Lo Low (pH 4.5-6) 4.47 9.29 -99.96 3 2 2 31 262.441 4

Activity (Go SEA)

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