UCSF

ZINC36126514

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) 0.59 2.83 -45.52 2 7 1 74 344.505 5
Hi High (pH 8-9.5) 0.59 0.37 -9.03 1 7 0 73 343.497 5

Activity (Go SEA)

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