UCSF

ZINC22743112

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.85 9.91 -33.99 2 8 0 110 444.586 10
Hi High (pH 8-9.5) 3.99 8.12 -97.26 0 8 -2 122 442.57 10
Mid Mid (pH 6-8) 3.92 9.01 -55.2 1 8 -1 116 443.578 10

Activity (Go SEA)

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