UCSF

ZINC38277779

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 37 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) 4.27 10.91 -60.18 0 8 -1 97 508.591 12
Lo Low (pH 4.5-6) 4.27 10.16 -13.79 1 8 0 95 509.599 12

Activity (Go SEA)

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