UCSF

ZINC71150216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 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) -1.13 1.88 -98.2 3 6 2 54 272.393 5
Hi High (pH 8-9.5) -1.13 0.53 -41.87 2 6 1 49 271.385 5
Hi High (pH 8-9.5) -1.13 -0.4 -45.53 2 6 1 53 271.385 5

Activity (Go SEA)

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