UCSF

ZINC22141174

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.28 4.35 -46.19 5 4 1 80 293.431 6
Mid Mid (pH 6-8) 3.28 2.95 -11.62 4 4 0 75 292.423 6

Activity (Go SEA)

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