UCSF

ZINC07471550

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 22 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) 4.51 9.85 -8.76 1 4 0 51 311.41 6
Hi High (pH 8-9.5) 4.51 9.65 -46.23 0 4 -1 49 310.402 6

Activity (Go SEA)

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