UCSF

ZINC39847517

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 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 12.8 -69.62 1 6 0 74 472.585 8
Lo Low (pH 4.5-6) 5.14 12.05 -47.19 2 6 1 71 473.593 8

Activity (Go SEA)

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