UCSF

ZINC33321474

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 30 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) 1.66 5.48 -95.64 0 9 -2 134 428.784 6
Lo Low (pH 4.5-6) 1.21 8.14 -55.88 1 9 -1 131 429.792 6

Activity (Go SEA)

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