UCSF

ZINC70148782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2011 20 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) 2.08 5.05 -50.11 4 3 1 47 272.416 4
Mid Mid (pH 6-8) 2.08 7.2 -112.15 5 3 2 48 273.424 4

Activity (Go SEA)

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