UCSF

ZINC08398380

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 34 No

Other Names:

MFCD01079468

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) 7.88 -1.69 -6.55 1 1 0 75 473.706 7
Mid Mid (pH 6-8) 7.88 -1.44 -34.1 2 7 1 77 474.714 16

Activity (Go SEA)

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