UCSF

ZINC58013998

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 16 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) 2.45 5.53 -49.51 2 4 -1 69 219.264 2
Mid Mid (pH 6-8) 2.45 6.17 -48.64 3 4 0 71 220.272 2

Activity (Go SEA)

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