UCSF

ZINC40187095

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 Yes

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) 4.43 12.3 -18.07 1 6 0 67 446.938 6
Lo Low (pH 4.5-6) 4.43 12.68 -38.5 2 6 1 68 447.946 6

Activity (Go SEA)

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