UCSF

ZINC42473240

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.40 5.93 -49.49 3 2 1 31 261.414 6
Lo Low (pH 4.5-6) 2.40 7.82 -123.71 4 2 2 32 262.422 6

Activity (Go SEA)

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