UCSF

ZINC51530815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 25 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) 3.70 10.82 -124.14 2 5 2 43 397.331 3
Hi High (pH 8-9.5) 3.70 8.14 -12.11 0 5 0 41 395.315 3
Hi High (pH 8-9.5) 3.70 8.54 -39.25 1 5 1 42 396.323 3

Activity (Go SEA)

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