UCSF

ZINC37996413

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) -0.36 4.48 -52.12 3 4 1 59 259.329 5
Hi High (pH 8-9.5) -0.36 4.19 -9.2 2 4 0 57 258.321 5
Lo Low (pH 4.5-6) -0.36 4.95 -117.66 4 4 2 60 260.337 5

Activity (Go SEA)

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