UCSF

ZINC22163555

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 2.69 6.46 -130.49 4 2 2 32 263.212 4
Mid Mid (pH 6-8) 2.69 4.31 -51.82 3 2 1 31 262.204 4

Activity (Go SEA)

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