UCSF

ZINC34468227

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 25 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) 2.58 6.73 -13.94 1 5 0 63 372.881 3
Mid Mid (pH 6-8) 2.58 7.61 -33.7 2 5 1 65 373.889 3

Activity (Go SEA)

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