UCSF

ZINC44808923

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 12 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) -0.82 -1.58 -11.52 3 5 0 96 169.184 4

Activity (Go SEA)

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