UCSF

ZINC21817271

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 2.67 4.64 -19.43 4 5 0 85 302.355 4
Hi High (pH 8-9.5) 2.67 5.54 -74.89 3 5 -1 87 301.347 4

Activity (Go SEA)

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