UCSF

ZINC43262646

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 Yes

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) 2.63 3.87 -114.13 6 4 2 75 376.364 7
Hi High (pH 8-9.5) 2.63 2.26 -5.55 4 4 0 72 374.348 7
Hi High (pH 8-9.5) 2.63 2.59 -48.89 5 4 1 74 375.356 7
Mid Mid (pH 6-8) 2.63 3.59 -31.25 5 4 1 74 375.356 7

Activity (Go SEA)

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