UCSF

ZINC38000948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 2.57 4.64 -42.3 4 3 1 60 274.171 5
Mid Mid (pH 6-8) 2.57 3.53 -6.32 3 3 0 55 273.163 5

Activity (Go SEA)

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