UCSF

ZINC45686863

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.29 8.1 -90.37 3 3 2 24 273.509 13
Mid Mid (pH 6-8) 3.29 8.47 -80.84 3 3 2 24 273.509 13
Mid Mid (pH 6-8) 3.29 10.55 -177.46 4 3 3 25 274.517 13

Activity (Go SEA)

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