UCSF

ZINC33715580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 3.83 10.55 -10.81 0 6 0 56 453.589 6
Lo Low (pH 4.5-6) 3.83 12.65 -46.25 1 6 1 58 454.597 6

Activity (Go SEA)

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