UCSF

ZINC62954910

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.39 10.19 -40.14 1 3 1 31 276.4 5
Mid Mid (pH 6-8) 3.39 8.02 -9.55 0 3 0 30 275.392 5

Activity (Go SEA)

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