UCSF

ZINC31706609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) -0.72 -3.79 -44.23 4 10 -1 178 381.294 3
Hi High (pH 8-9.5) -0.72 -2.8 -108.79 3 10 -2 180 380.286 3
Hi High (pH 8-9.5) -0.72 -2.98 -95.78 3 10 -2 180 380.286 3

Activity (Go SEA)

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