UCSF

ZINC00001772

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 24 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) 1.12 2.51 -59.97 3 5 1 71 328.388 2
Hi High (pH 8-9.5) 1.12 0.9 -14.95 2 5 0 70 327.38 2

Activity (Go SEA)

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