UCSF

ZINC53236837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 22 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) 2.79 7.3 -37.13 2 4 1 37 322.86 6
Hi High (pH 8-9.5) 2.79 5.03 -6.98 1 4 0 36 321.852 6

Activity (Go SEA)

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