UCSF

ZINC18068387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 22 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) 4.28 8.46 -14.67 1 4 0 55 333.775 3
Mid Mid (pH 6-8) 4.35 7.55 -42.33 0 4 -1 61 332.767 3

Activity (Go SEA)

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