UCSF

ZINC12764103

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 26 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) 2.87 8.87 -47.2 2 6 1 59 355.462 5
Mid Mid (pH 6-8) 2.87 6.4 -15.19 1 6 0 58 354.454 5

Activity (Go SEA)

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