UCSF

ZINC08441760

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 40 No

Other Names:

MFCD03861516

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) 6.40 0.9 -14.01 1 6 0 79 529.592 9
Mid Mid (pH 6-8) 5.81 0.74 -19.14 0 6 0 76 529.592 9

Activity (Go SEA)

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