UCSF

ZINC36110617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 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) 2.52 5.84 -53.42 2 7 1 70 357.386 5
Hi High (pH 8-9.5) 2.52 3.94 -14.58 1 7 0 69 356.378 5

Activity (Go SEA)

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