UCSF

ZINC00026458

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 15 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) 1.34 -3.1 -15.11 2 4 0 62 222.269 3
Hi High (pH 8-9.5) 1.53 -2.54 -55.13 1 4 -1 68 221.261 3
Hi High (pH 8-9.5) 1.34 -2.54 -55.13 1 4 -1 65 221.261 3

Activity (Go SEA)

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