UCSF

ZINC24985565

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 36 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) 1.92 7.41 -43.97 4 10 1 119 500.62 9
Ref Reference (pH 7) 1.92 7.52 -45.49 4 10 1 119 500.62 9
Hi High (pH 8-9.5) 1.92 6.95 -16.26 3 10 0 118 499.612 9
Hi High (pH 8-9.5) 1.92 7.06 -15.64 3 10 0 118 499.612 9
Mid Mid (pH 6-8) 1.92 8.15 -58.23 4 10 1 122 500.62 9

Activity (Go SEA)

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