UCSF

ZINC33019175

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 16 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) 0.47 6.08 -39.62 1 4 1 38 220.296 2
Mid Mid (pH 6-8) 0.47 3.81 -8.44 0 4 0 36 219.288 2

Activity (Go SEA)

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