UCSF

ZINC37790644

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) 1.13 7.13 -16.56 0 3 0 37 197.278 3
Hi High (pH 8-9.5) 1.14 6.06 -51.93 0 3 -1 43 196.27 3

Activity (Go SEA)

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