UCSF

ZINC43120512

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 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) 5.40 10.93 -11.17 2 6 0 68 415.493 6
Mid Mid (pH 6-8) 5.40 11.32 -29.73 3 6 1 69 416.501 6

Activity (Go SEA)

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