UCSF

ZINC62555072

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 22 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) 2.44 6.76 -10.16 0 4 0 33 306.381 5
Lo Low (pH 4.5-6) 2.44 8.97 -50.19 1 4 1 34 307.389 5

Activity (Go SEA)

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