UCSF

ZINC36126452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 2.00 4.95 -44.27 1 5 1 45 346.542 5
Hi High (pH 8-9.5) 2.00 2.51 -8.45 0 5 0 44 345.534 5

Activity (Go SEA)

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