UCSF

ZINC36332268

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 18 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) 1.58 3.99 -46.72 2 4 1 60 283.398 2
Hi High (pH 8-9.5) 1.58 3.64 -13.87 1 4 0 59 282.39 2

Activity (Go SEA)

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