UCSF

ZINC35752754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 12 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) -0.37 2.32 -67.81 2 4 0 60 172.228 3
Lo Low (pH 4.5-6) -0.37 4.31 -111 3 4 1 61 173.236 3
Lo Low (pH 4.5-6) -0.37 2.98 -43.84 2 4 0 57 172.228 3

Activity (Go SEA)

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