UCSF

ZINC31815059

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 24 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) 2.06 6.84 -23.64 1 7 0 94 344.396 4
Hi High (pH 8-9.5) 2.13 5.94 -44.09 0 7 -1 100 343.388 4

Activity (Go SEA)

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