UCSF

ZINC40053634

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 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) 4.00 7.79 -50.79 1 6 -1 90 461.321 9
Lo Low (pH 4.5-6) 4.00 7.04 -11.48 2 6 0 87 462.329 9

Activity (Go SEA)

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