UCSF

ZINC21646800

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 1.64 6.81 -49.61 2 6 1 57 357.478 3
Mid Mid (pH 6-8) 1.64 4.55 -10.91 1 6 0 56 356.47 3

Activity (Go SEA)

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