UCSF

ZINC37988324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 2.81 6.61 -34.2 2 2 1 16 304.277 4
Lo Low (pH 4.5-6) 2.81 7.8 -109.32 3 2 2 21 305.285 4
Lo Low (pH 4.5-6) 2.81 5.56 -42.67 2 2 1 20 304.277 4

Activity (Go SEA)

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