UCSF

ZINC11790507

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 32 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) 2.62 -0.35 -61.69 2 7 1 77 433.58 8
Lo Low (pH 4.5-6) 2.62 -0.23 -104.94 3 7 2 78 434.588 8

Activity (Go SEA)

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