UCSF

ZINC33474818

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 33 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) -2.80 9.61 -36.19 3 9 1 119 438.471 5
Lo Low (pH 4.5-6) -2.80 10.04 -91.38 4 9 2 120 439.479 5

Activity (Go SEA)

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