UCSF

ZINC31548190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 19 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) 1.89 5.76 -19.38 1 4 0 47 265.263 3
Lo Low (pH 4.5-6) 1.89 5.89 -40.45 2 4 1 48 266.271 3

Activity (Go SEA)

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