UCSF

ZINC14679053

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 29 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) 3.84 8.4 -18.77 1 7 0 92 457.021 7
Mid Mid (pH 6-8) 3.90 7.48 -49.98 0 7 -1 99 456.013 7

Activity (Go SEA)

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