UCSF

ZINC06753007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 28 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) 4.61 9.18 -12.91 2 5 0 69 393.512 6
Mid Mid (pH 6-8) 4.61 9.94 -52.46 1 5 -1 72 392.504 6

Activity (Go SEA)

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