UCSF

ZINC40047780

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.00 7.18 -58.18 1 7 -1 107 473.299 8
Lo Low (pH 4.5-6) 3.00 6.41 -17.18 2 7 0 104 474.307 8

Activity (Go SEA)

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