UCSF

ZINC13127533

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 35 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) 2.73 9.86 -68.17 2 9 0 116 483.565 11
Hi High (pH 8-9.5) 2.73 7.73 -54.7 1 9 -1 115 482.557 11
Lo Low (pH 4.5-6) 2.82 9.27 -52.66 2 9 1 110 484.573 11

Activity (Go SEA)

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