UCSF

ZINC22942699

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 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) 3.11 10.01 -51.5 1 6 1 74 377.468 8
Mid Mid (pH 6-8) 3.11 7.63 -11.31 0 6 0 73 376.46 8

Activity (Go SEA)

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