UCSF

ZINC40094798

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.14 12.4 -50.66 0 4 -1 60 402.445 6
Lo Low (pH 4.5-6) 5.14 11.65 -9.9 1 4 0 58 403.453 6

Activity (Go SEA)

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