UCSF

ZINC36126454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 2.57 5.71 -44.4 1 5 1 45 360.569 6
Hi High (pH 8-9.5) 2.57 3.27 -7.71 0 5 0 44 359.561 6

Activity (Go SEA)

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