UCSF

ZINC36126478

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 2.34 6.59 -45.59 1 5 1 45 354.54 6
Hi High (pH 8-9.5) 2.34 4.12 -10.29 0 5 0 44 353.532 6

Activity (Go SEA)

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