UCSF

ZINC37052033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.12 6.77 -6.92 2 3 0 46 286.762 2
Mid Mid (pH 6-8) 1.12 7.08 -43.49 3 3 1 48 287.77 2
Mid Mid (pH 6-8) 1.12 7.08 -42.06 3 3 1 48 287.77 2

Activity (Go SEA)

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