UCSF

ZINC58557483

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 33 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.46 13.73 -54.25 2 6 1 60 443.571 10
Hi High (pH 8-9.5) 4.46 11.4 -16.26 1 6 0 59 442.563 10
Mid Mid (pH 6-8) 4.46 14.17 -81.81 3 6 2 61 444.579 10

Activity (Go SEA)

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