UCSF

ZINC13118263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 2.60 6.79 -16.65 1 6 0 76 385.221 4
Hi High (pH 8-9.5) 3.51 5.56 -53.09 0 6 -1 83 384.213 4
Hi High (pH 8-9.5) 3.50 4.61 -49.24 0 6 -1 83 384.213 4

Activity (Go SEA)

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