UCSF

ZINC31539994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 35 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) -2.96 5.33 -90.9 5 11 -1 184 507.589 13
Hi High (pH 8-9.5) -2.96 4.05 -113.95 4 11 -2 180 506.581 13

Activity (Go SEA)

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