UCSF

ZINC45658447

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.51 7.93 -97.98 4 3 2 35 277.456 5
Hi High (pH 8-9.5) 2.51 8.13 -33.16 3 3 1 34 276.448 5
Mid Mid (pH 6-8) 2.51 6.09 -36.16 3 3 1 34 276.448 5

Activity (Go SEA)

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