UCSF

ZINC05417011

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 22 No

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) 5.50 10.75 -8.08 1 3 0 41 311.385 3
Lo Low (pH 4.5-6) 4.57 10.89 -30.5 2 3 1 39 312.393 4

Activity (Go SEA)

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