UCSF

ZINC37862835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 14 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) 0.48 0.73 -37.04 3 4 1 59 200.258 6
Hi High (pH 8-9.5) 0.48 -0.55 -4.8 2 4 0 55 199.25 6

Activity (Go SEA)

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