UCSF

ZINC29401566

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 26 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) -0.85 1.41 -91.64 3 8 0 118 383.47 5
Hi High (pH 8-9.5) -0.85 0.05 -64.67 2 8 -1 113 382.462 5

Activity (Go SEA)

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