UCSF

ZINC44679571

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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 5.69 -78.84 4 3 2 33 225.38 7
Hi High (pH 8-9.5) 1.03 5.53 -107.78 4 3 2 33 225.38 7
Hi High (pH 8-9.5) 1.03 3.21 -35.78 3 3 1 32 224.372 7
Hi High (pH 8-9.5) 1.03 4.32 -106.98 4 3 2 36 225.38 7

Activity (Go SEA)

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