UCSF

ZINC33247164

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2009 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) 1.76 7.79 -56.58 1 6 -1 96 366.422 5
Lo Low (pH 4.5-6) 1.76 10.1 -81.95 2 6 0 97 367.43 5

Activity (Go SEA)

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