UCSF

ZINC21634079

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 27 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) 3.89 6.17 -70.18 2 6 1 71 429.349 5
Mid Mid (pH 6-8) 3.89 7.02 -24.41 1 6 0 70 428.341 5

Activity (Go SEA)

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