UCSF

ZINC08408143

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 35 Yes

Other Names:

MFCD01142540

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) 8.98 1.54 -10.42 1 1 0 28 448.569 2
Mid Mid (pH 6-8) 8.98 1.74 -31.57 2 2 1 29 449.577 5

Activity (Go SEA)

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