UCSF

ZINC62019301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 19 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) 3.01 7.15 -43.8 3 3 1 44 276.791 4
Hi High (pH 8-9.5) 3.01 7.07 -26.69 3 3 1 43 276.791 4
Hi High (pH 8-9.5) 3.01 6.74 -5.51 2 3 0 42 275.783 4

Activity (Go SEA)

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