UCSF

ZINC33698465

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 33 No

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) 1.96 5.32 -18.75 1 12 0 151 501.949 10
Mid Mid (pH 6-8) 1.96 7.65 -57.03 2 12 1 152 502.957 10

Activity (Go SEA)

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