UCSF

ZINC33698019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 30 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) 3.31 11.51 -42.05 0 5 -1 73 397.454 5
Lo Low (pH 4.5-6) 3.31 10.39 -17.12 1 5 0 71 398.462 5
Lo Low (pH 4.5-6) 3.31 10.82 -47.74 2 5 1 72 399.47 5

Activity (Go SEA)

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