UCSF

ZINC19685172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 20 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) 0.50 3.91 -116.95 4 5 2 60 282.384 6
Hi High (pH 8-9.5) 0.50 -0.06 -8.93 2 5 0 54 280.368 6
Hi High (pH 8-9.5) 0.50 1.5 -43.91 3 5 1 59 281.376 6
Hi High (pH 8-9.5) 0.50 1.8 -35.88 2 5 0 61 280.368 6

Activity (Go SEA)

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