UCSF

ZINC06440509

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2006 21 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) 2.70 3.45 -40.11 4 4 1 66 296.431 10
Hi High (pH 8-9.5) 2.70 2.12 -7.37 3 4 0 62 295.423 10

Activity (Go SEA)

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