UCSF

ZINC12547587

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 31 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) 2.54 11.45 -25.51 1 7 0 82 417.444 5
Mid Mid (pH 6-8) 2.54 11.91 -39.58 2 7 1 83 418.452 5

Activity (Go SEA)

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