UCSF

ZINC39848406

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 34 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) 4.26 12.6 -69.25 0 6 -1 83 455.534 7
Lo Low (pH 4.5-6) 4.26 11.85 -18.1 1 6 0 80 456.542 7

Activity (Go SEA)

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