UCSF

ZINC37814603

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.18 1.22 -44.77 3 4 1 57 173.236 5
Hi High (pH 8-9.5) -1.18 0.85 -9.66 2 4 0 56 172.228 5

Activity (Go SEA)

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