UCSF

ZINC39859786

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 3.00 9.26 -44 1 4 1 47 289.399 5
Mid Mid (pH 6-8) 3.00 7.27 -7.88 0 4 0 45 288.391 5

Activity (Go SEA)

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