UCSF

ZINC20241771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 25 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) 2.60 8.42 -50.4 2 4 1 37 338.475 6
Mid Mid (pH 6-8) 2.60 8.48 -46.64 2 4 1 37 338.475 6
Mid Mid (pH 6-8) 2.60 6.1 -10.99 1 4 0 36 337.467 6

Activity (Go SEA)

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