UCSF

ZINC29560849

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 37 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) 5.56 19.01 -59.08 2 7 1 70 503.598 10
Hi High (pH 8-9.5) 5.56 16.76 -16.07 1 7 0 69 502.59 10

Activity (Go SEA)

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