UCSF

ZINC62555035

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) 3.34 7.08 -10.19 0 4 0 33 308.397 7
Lo Low (pH 4.5-6) 3.34 9.3 -50.1 1 4 1 34 309.405 7

Activity (Go SEA)

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