UCSF

ZINC12462856

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 24 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) 5.29 12.4 -10.36 0 3 0 27 322.452 7
Mid Mid (pH 6-8) 5.29 12.82 -28.35 1 3 1 28 323.46 7

Activity (Go SEA)

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