UCSF

ZINC34644700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 2.77 4.04 -6.39 0 3 0 22 304.159 4
Mid Mid (pH 6-8) 2.77 6.33 -39.75 1 3 1 23 305.167 4

Activity (Go SEA)

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