UCSF

ZINC04259709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 31 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) 3.21 5.32 -23.21 4 8 0 120 436.855 6
Hi High (pH 8-9.5) 3.21 6.09 -56.97 3 8 -1 123 435.847 6

Activity (Go SEA)

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