UCSF

ZINC42781841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 2.49 7.81 -96.74 3 2 2 21 240.416 5
Hi High (pH 8-9.5) 2.49 5.76 -39.99 2 2 1 20 239.408 5

Activity (Go SEA)

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