UCSF

ZINC37048956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.22 4.64 -104.5 4 4 2 45 279.428 6
Mid Mid (pH 6-8) 1.22 5.03 -90.74 4 4 2 45 279.428 6
Mid Mid (pH 6-8) 1.22 2.77 -43.84 3 4 1 43 278.42 6

Activity (Go SEA)

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