UCSF

ZINC42914133

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.40 5.43 -53.11 3 3 1 44 274.363 5
Mid Mid (pH 6-8) 1.40 6.82 -136.4 4 3 2 45 275.371 5

Activity (Go SEA)

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