UCSF

ZINC33121238

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 33 Yes

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) 2.91 5.15 -51.06 4 8 1 104 475.635 9
Hi High (pH 8-9.5) 2.91 5.22 -66.68 3 8 0 106 474.627 9
Hi High (pH 8-9.5) 2.91 3.74 -15.52 3 8 0 100 474.627 9

Activity (Go SEA)

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