UCSF

ZINC44514205

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 1.65 5.56 -114.18 5 5 2 74 306.435 4
Mid Mid (pH 6-8) 1.47 4.77 -92 4 5 1 80 305.427 4

Activity (Go SEA)

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