UCSF

ZINC13731121

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 19 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) 1.03 3.63 -53.91 3 4 1 59 259.329 7
Lo Low (pH 4.5-6) 1.03 3.91 -111.05 4 4 2 60 260.337 7

Activity (Go SEA)

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