UCSF

ZINC22930302

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 2.90 10.24 -77.05 2 4 2 21 333.52 7
Hi High (pH 8-9.5) 2.90 7.77 -37 1 4 1 20 332.512 7
Mid Mid (pH 6-8) 2.90 10.1 -81.43 2 4 2 21 333.52 7

Activity (Go SEA)

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