UCSF

ZINC39917335

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.68 15.2 -37.86 1 3 1 22 390.595 5
Hi High (pH 8-9.5) 6.68 13.3 -7.72 0 3 0 21 389.587 5

Activity (Go SEA)

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