UCSF

ZINC37852961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.57 1.29 -46.12 4 4 1 66 274.768 7
Hi High (pH 8-9.5) 1.57 -0.13 -7.15 3 4 0 62 273.76 7

Activity (Go SEA)

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