UCSF

ZINC13119212

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) 3.33 4.22 -19.63 3 6 0 91 328.368 6
Ref Reference (pH 7) 3.33 3.87 -15.59 3 6 0 91 328.368 6
Hi High (pH 8-9.5) 3.33 4.99 -66.81 2 6 -1 94 327.36 6
Hi High (pH 8-9.5) 3.33 4.64 -46.48 2 6 -1 94 327.36 6

Activity (Go SEA)

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