UCSF

ZINC13114951

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 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) 2.94 6.77 -14.21 1 7 0 82 349.346 4
Hi High (pH 8-9.5) 3.85 5.39 -53.64 0 7 -1 88 348.338 4
Hi High (pH 8-9.5) 3.85 4.44 -53.61 0 7 -1 88 348.338 4

Activity (Go SEA)

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