UCSF

ZINC12857916

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 16 No

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) 3.21 6.18 -9.6 1 2 0 29 241.693 3
Mid Mid (pH 6-8) 3.40 3.29 -8.05 1 2 0 33 241.693 3

Activity (Go SEA)

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