UCSF

ZINC36829065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) -0.05 1.57 -17.54 1 6 0 83 279.321 4
Hi High (pH 8-9.5) 0.41 -0.5 -47.88 0 6 -1 86 278.313 4
Lo Low (pH 4.5-6) -0.05 2.03 -48.08 2 6 1 84 280.329 4

Activity (Go SEA)

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