UCSF

ZINC33814321

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) 3.12 11.39 -58.44 0 9 -1 105 504.563 12
Lo Low (pH 4.5-6) 3.12 10.08 -24.32 1 9 0 103 505.571 12

Activity (Go SEA)

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