UCSF

ZINC74713313

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2012 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.67 8.99 -44.96 1 3 1 25 259.373 1
Hi High (pH 8-9.5) 2.67 6.59 -9.42 0 3 0 24 258.365 1

Activity (Go SEA)

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