UCSF

ZINC62955368

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 2.64 10.91 -45.87 2 4 1 38 269.438 4
Hi High (pH 8-9.5) 3.37 10.83 -41.74 1 4 0 35 268.43 4

Activity (Go SEA)

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