UCSF

ZINC37229184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 0.87 4.91 -89.23 3 4 2 28 280.46 6
Mid Mid (pH 6-8) 0.87 4.8 -109.31 3 4 2 28 280.46 6
Mid Mid (pH 6-8) 0.87 2.53 -41.97 2 4 1 26 279.452 6

Activity (Go SEA)

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