UCSF

ZINC09065886

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 34 No

Other Names:

MFCD03501631

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) 3.87 8.49 -55.1 0 7 -1 82 483.972 9
Mid Mid (pH 6-8) 3.87 10.84 -71.82 1 7 0 83 484.98 9

Activity (Go SEA)

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