UCSF

ZINC14496859

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 23 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) 2.81 6.77 -14.61 2 5 0 75 325.393 3
Hi High (pH 8-9.5) 2.88 5.11 -41.84 1 5 -1 81 324.385 3

Activity (Go SEA)

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