UCSF

ZINC36068431

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 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) 1.54 7.1 -53.59 2 5 1 60 322.454 5
Hi High (pH 8-9.5) 1.54 4.65 -13.86 1 5 0 58 321.446 5

Activity (Go SEA)

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