UCSF

ZINC20510563

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 0.38 4.43 -48.35 3 4 1 55 266.361 4
Hi High (pH 8-9.5) 0.38 4.15 -5.34 2 4 0 54 265.353 4

Activity (Go SEA)

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