UCSF

ZINC43455305

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 4.37 9.7 -110.62 3 2 2 21 244.467 11
Mid Mid (pH 6-8) 4.37 7.92 -34.42 2 2 1 20 243.459 11
Mid Mid (pH 6-8) 4.37 8.49 -31.84 2 2 1 16 243.459 11

Activity (Go SEA)

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