UCSF

ZINC44124218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 No

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) 2.37 6.94 -47.06 0 5 -1 76 275.28 4
Lo Low (pH 4.5-6) 1.78 7.35 -10.78 0 5 0 70 276.288 5

Activity (Go SEA)

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