UCSF

ZINC42432432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 1.48 4.16 -31.86 2 3 1 38 261.798 4
Hi High (pH 8-9.5) 1.48 1.93 -6.64 1 3 0 36 260.79 4

Activity (Go SEA)

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