UCSF

ZINC47264359

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 19 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) 2.57 4.28 -5.74 0 3 0 22 275.27 5
Lo Low (pH 4.5-6) 2.57 6.53 -41.71 1 3 1 23 276.278 5

Activity (Go SEA)

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