UCSF

ZINC12617775

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 30 No

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) 4.81 11.88 -19.48 1 5 0 66 463.694 9
Hi High (pH 8-9.5) 5.27 10.04 -57.37 0 5 -1 69 462.686 9

Activity (Go SEA)

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