UCSF

ZINC44679594

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) 1.34 5.49 -78.55 4 3 2 33 227.396 7
Hi High (pH 8-9.5) 1.34 5.49 -106.03 4 3 2 33 227.396 7
Hi High (pH 8-9.5) 1.34 3.08 -35.64 3 3 1 32 226.388 7
Hi High (pH 8-9.5) 1.34 4.27 -106.07 4 3 2 36 227.396 7

Activity (Go SEA)

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