UCSF

ZINC36780534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 10 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) -0.48 -0.82 -14.68 2 4 0 65 141.174 4
Lo Low (pH 4.5-6) -0.48 0.55 -57.25 3 4 1 69 142.182 4

Activity (Go SEA)

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