UCSF

ZINC39975771

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 24 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) 3.69 6.86 -7.16 0 5 0 46 369.248 5
Mid Mid (pH 6-8) 3.69 9.02 -46.27 1 5 1 47 370.256 5

Activity (Go SEA)

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