UCSF

ZINC37839422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 No

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) 0.80 6.69 -15.55 0 3 0 37 183.251 5
Hi High (pH 8-9.5) 0.81 5.59 -50.21 0 3 -1 43 182.243 5

Activity (Go SEA)

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