UCSF

ZINC37816793

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.78 4.02 -47.16 3 4 1 51 254.398 7
Mid Mid (pH 6-8) 0.78 6.22 -93.67 4 4 2 52 255.406 7

Activity (Go SEA)

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