UCSF

ZINC27551511

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 28 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) 3.18 9.14 -108.89 0 6 -2 101 418.232 6
Lo Low (pH 4.5-6) 3.18 8.32 -49.86 1 6 -1 98 419.24 6

Activity (Go SEA)

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