UCSF

ZINC42464175

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.87 6.7 -41.84 3 3 1 40 265.402 5
Hi High (pH 8-9.5) 1.87 4.43 -9.56 2 3 0 38 264.394 5

Activity (Go SEA)

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