UCSF

ZINC45691011

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 2.16 2.62 -38.16 3 4 1 49 265.377 6
Mid Mid (pH 6-8) 2.16 4.7 -38.25 3 4 1 46 265.377 6

Activity (Go SEA)

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