UCSF

ZINC08769857

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 26 Yes

Other Names:

MFCD01817535

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) 3.49 8.77 -14.55 2 6 0 84 367.43 7
Mid Mid (pH 6-8) 3.49 9.2 -47.44 3 6 1 85 368.438 7

Activity (Go SEA)

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