UCSF

ZINC42156747

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) 2.81 8 -44.48 2 3 1 34 299.847 4
Hi High (pH 8-9.5) 2.81 5.74 -7.28 1 3 0 32 298.839 4

Activity (Go SEA)

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