UCSF

ZINC37820412

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.03 -2.81 -51.47 6 7 1 120 293.413 5
Hi High (pH 8-9.5) -1.03 -3.01 -68.11 5 7 0 122 292.405 5
Hi High (pH 8-9.5) -1.03 -3.11 -13.34 5 7 0 119 292.405 5

Activity (Go SEA)

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