UCSF

ZINC44679564

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) 1.07 4.63 -82.72 4 3 2 33 213.369 6
Hi High (pH 8-9.5) 1.07 3.44 -30.2 3 3 1 28 212.361 6
Hi High (pH 8-9.5) 1.07 2.29 -35.41 3 3 1 32 212.361 6

Activity (Go SEA)

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