UCSF

ZINC27934280

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 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) 2.68 5.73 -13.81 1 5 0 64 301.371 3
Mid Mid (pH 6-8) 2.68 5.84 -38.21 2 5 1 65 302.379 3
Mid Mid (pH 6-8) 2.68 5.79 -44.09 0 5 -1 66 300.363 3

Activity (Go SEA)

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