UCSF

ZINC41573147

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 1.10 4.34 -41.53 2 5 1 46 298.451 7
Lo Low (pH 4.5-6) 1.10 6.6 -82.64 3 5 2 47 299.459 7

Activity (Go SEA)

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