UCSF

ZINC37806745

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.15 6.85 -36.83 2 3 1 37 227.372 7
Hi High (pH 8-9.5) 2.15 5.64 -5.8 1 3 0 32 226.364 7

Activity (Go SEA)

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