UCSF

ZINC43968175

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 4.50 9.86 -106.5 3 2 2 21 256.478 10
Hi High (pH 8-9.5) 4.50 9.66 -29.69 2 2 1 16 255.47 10
Hi High (pH 8-9.5) 4.50 9.99 -31.53 2 2 1 20 255.47 10

Activity (Go SEA)

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