UCSF

ZINC15880240

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.69 11.74 -50.28 2 4 1 46 364.494 5
Mid Mid (pH 6-8) 3.69 9.46 -15.5 1 4 0 45 363.486 5

Activity (Go SEA)

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