UCSF

ZINC20193188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 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) 3.22 10.55 -74.61 1 9 0 110 480.517 10
Hi High (pH 8-9.5) 3.22 8.33 -57.48 0 9 -1 108 479.509 10

Activity (Go SEA)

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