UCSF

ZINC33808784

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 4.87 14.71 -19.63 0 6 0 64 505.647 6
Lo Low (pH 4.5-6) 4.87 15.64 -39.58 1 6 1 65 506.655 6

Activity (Go SEA)

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