UCSF

ZINC41650433

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 3.60 9.64 -46.97 2 4 1 47 415.153 4
Mid Mid (pH 6-8) 3.60 8.72 -9.85 1 4 0 43 414.145 4

Activity (Go SEA)

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