UCSF

ZINC60474007

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 19 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) 3.00 7.1 -5.39 0 2 0 16 278.758 5
Mid Mid (pH 6-8) 3.00 7.56 -32.97 1 2 1 17 279.766 5

Activity (Go SEA)

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