UCSF

ZINC27845264

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 18 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) -0.23 5.77 -106.42 0 6 -2 101 255.27 5
Lo Low (pH 4.5-6) -0.23 4.64 -50.99 1 6 -1 98 256.278 5

Activity (Go SEA)

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