UCSF

ZINC36353505

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 35 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) 3.62 9.87 -18.07 1 8 0 86 491.617 5
Hi High (pH 8-9.5) 3.62 10.25 -38.06 1 8 0 89 491.617 5
Mid Mid (pH 6-8) 3.62 9.87 -60.18 0 8 -1 88 490.609 5

Activity (Go SEA)

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