UCSF

ZINC34527065

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 2.65 5.69 -50.62 3 6 1 74 360.43 6
Mid Mid (pH 6-8) 2.65 4.57 -11.63 2 6 0 69 359.422 6

Activity (Go SEA)

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