UCSF

ZINC42577509

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 3.56 7.57 -116.46 4 2 2 32 276.468 5
Hi High (pH 8-9.5) 3.56 7.26 -30.25 3 2 1 30 275.46 5
Hi High (pH 8-9.5) 3.56 6.09 -43.59 3 2 1 31 275.46 5

Activity (Go SEA)

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