UCSF

ZINC44031885

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 44 No

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) 6.78 10.06 -21.19 2 10 0 138 594.572 7
Hi High (pH 8-9.5) 6.78 11.05 -64.48 1 10 -1 141 593.564 7
Hi High (pH 8-9.5) 6.78 11.06 -68.45 1 10 -1 141 593.564 7

Activity (Go SEA)

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