UCSF

ZINC36639391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 2.82 6.35 -39.36 3 5 1 68 335.84 4
Hi High (pH 8-9.5) 2.82 5.29 -11.32 2 5 0 66 334.832 4
Hi High (pH 8-9.5) 3.00 4.63 -30.55 2 5 0 74 334.832 4
Hi High (pH 8-9.5) 3.00 3.51 -48.1 1 5 -1 73 333.824 4

Activity (Go SEA)

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