UCSF

ZINC20358726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 37 No

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) 3.40 10.41 -80.95 2 8 0 104 502.567 10
Hi High (pH 8-9.5) 3.40 7.88 -61.66 1 8 -1 102 501.559 10

Activity (Go SEA)

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