UCSF

ZINC31483825

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 2.50 0.37 -112.79 0 5 -2 81 236.271 2
Mid Mid (pH 6-8) 2.04 4.14 -32.7 1 5 -1 78 237.279 2

Activity (Go SEA)

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