UCSF

ZINC20883331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 36 No

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) 5.72 11.03 -13.55 3 8 0 116 485.54 5
Mid Mid (pH 6-8) 5.72 11.99 -59.16 2 8 -1 119 484.532 5

Activity (Go SEA)

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