UCSF

ZINC21815444

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.47 8.11 -6.49 1 2 0 21 291.341 7
Mid Mid (pH 6-8) 4.47 9.35 -47.27 2 2 1 26 292.349 7

Activity (Go SEA)

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