UCSF

ZINC12613842

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 29 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) 2.00 5.81 -47.16 3 8 1 88 398.487 7
Mid Mid (pH 6-8) 2.00 3.34 -13.97 2 8 0 87 397.479 7

Activity (Go SEA)

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