UCSF

ZINC21686982

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 24 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) 0.97 4.2 -10.32 0 6 0 55 345.424 3
Mid Mid (pH 6-8) 0.97 6.51 -48.44 1 6 1 56 346.432 3

Activity (Go SEA)

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