UCSF

ZINC08744559

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 31 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) 4.90 12.95 -41.5 1 5 1 45 419.545 10
Lo Low (pH 4.5-6) 4.90 13.24 -94.02 2 5 2 46 420.553 10

Activity (Go SEA)

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