UCSF

ZINC22024928

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 2.79 7.54 -33.47 2 8 0 118 441.49 5
Hi High (pH 8-9.5) 2.86 6.7 -100.11 0 8 -2 127 439.474 5
Mid Mid (pH 6-8) 2.79 7.61 -57.91 1 8 -1 120 440.482 5

Activity (Go SEA)

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