UCSF

ZINC37025553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 Yes

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) -0.77 -1.51 -49.4 6 5 1 100 226.231 3
Hi High (pH 8-9.5) -0.77 -1.83 -16.73 5 5 0 98 225.223 3

Activity (Go SEA)

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