UCSF

ZINC69971404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 Yes

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) -0.69 5.81 -41.22 1 7 1 63 320.417 3
Hi High (pH 8-9.5) -0.69 3.67 -14.03 0 7 0 62 319.409 3

Activity (Go SEA)

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