UCSF

ZINC13127581

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 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) 3.09 9.19 -18.5 0 7 0 68 348.41 4
Ref Reference (pH 7) 3.09 10.05 -35.81 2 7 1 73 349.418 4
Lo Low (pH 4.5-6) 3.09 10.79 -50.67 3 7 0 74 350.426 4

Activity (Go SEA)

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