UCSF

ZINC36070312

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 26 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) 2.80 11.76 -62.53 1 6 0 79 371.462 5
Hi High (pH 8-9.5) 2.80 9.39 -50.77 0 6 -1 78 370.454 5

Activity (Go SEA)

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