UCSF

ZINC20917366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 28 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) 4.30 12.24 -17.53 0 5 0 47 371.44 6
Lo Low (pH 4.5-6) 4.30 12.92 -35.86 1 5 1 49 372.448 6

Activity (Go SEA)

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