UCSF

ZINC06131881

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 21 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) 2.76 5.28 -12.74 2 5 0 74 279.299 2
Hi High (pH 8-9.5) 3.22 3.53 -48.81 1 5 -1 77 278.291 2
Hi High (pH 8-9.5) 3.22 3.21 -59.57 1 5 -1 77 278.291 2

Activity (Go SEA)

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