UCSF

ZINC08309448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2006 23 No

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) 2.21 6.4 -54.55 3 8 1 108 323.373 8
Hi High (pH 8-9.5) 2.03 5.47 -31.22 2 8 0 115 322.365 8
Hi High (pH 8-9.5) 2.21 4.47 -18.69 2 8 0 107 322.365 8

Activity (Go SEA)

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