UCSF

ZINC08695207

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 32 No

Other Names:

MFCD06239848

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.81 11.8 -53.16 2 6 1 75 439.576 13
Mid Mid (pH 6-8) 4.23 12.46 -63.77 1 6 1 72 439.576 13

Activity (Go SEA)

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