UCSF

ZINC43284656

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 18 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) 0.62 3.28 -50.84 3 4 1 51 333.275 3
Hi High (pH 8-9.5) 0.62 2.42 -9.19 2 4 0 50 332.267 3

Activity (Go SEA)

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