UCSF

ZINC37786235

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.54 2.03 -34.77 4 4 1 57 279.404 4
Hi High (pH 8-9.5) 2.54 1.89 -33.15 3 4 0 63 278.396 4
Lo Low (pH 4.5-6) 2.54 3.25 -107.18 5 4 2 61 280.412 4

Activity (Go SEA)

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