UCSF

ZINC42462684

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.60 2.38 -47.15 3 5 1 58 239.343 2
Hi High (pH 8-9.5) 0.60 1.98 -5.2 2 5 0 56 238.335 2

Activity (Go SEA)

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