UCSF

ZINC14534755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.37 7.03 -19.9 2 10 0 115 457.531 7
Lo Low (pH 4.5-6) 1.37 7.29 -39.89 3 10 1 116 458.539 7

Activity (Go SEA)

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