UCSF

ZINC47283119

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 28 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) 4.16 7.18 -16.44 2 5 0 68 382.504 9
Mid Mid (pH 6-8) 4.16 7.47 -36.35 3 5 1 69 383.512 9

Activity (Go SEA)

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