UCSF

ZINC39914422

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 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) 5.06 7.06 -11.96 3 7 0 99 455.942 7
Mid Mid (pH 6-8) 5.06 7.81 -47.67 2 7 -1 102 454.934 7

Activity (Go SEA)

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