UCSF

ZINC08440806

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Other Names:

MFCD03213659

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) 4.01 10.43 -60.34 0 7 -1 96 434.468 9
Mid Mid (pH 6-8) 4.01 9.68 -13.27 1 7 0 93 435.476 9

Activity (Go SEA)

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