UCSF

ZINC37783983

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.68 6.38 -43.85 3 4 1 45 255.345 3
Mid Mid (pH 6-8) 2.68 4.2 -10.3 2 4 0 44 254.337 3

Activity (Go SEA)

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