UCSF

ZINC33813834

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 3.74 11.88 -58.65 0 9 -1 117 519.534 7
Lo Low (pH 4.5-6) 3.74 12.58 -23.44 1 9 0 114 520.542 7

Activity (Go SEA)

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