UCSF

ZINC29485482

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 21 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) 2.81 9.52 -42.13 2 3 1 33 278.379 3
Mid Mid (pH 6-8) 2.81 7.22 -9.15 1 3 0 32 277.371 3

Activity (Go SEA)

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