UCSF

ZINC22057762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 14 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) -2.95 -8.25 -36.24 6 6 1 106 206.218 0
Hi High (pH 8-9.5) -2.95 -7.51 -41.14 5 6 0 108 205.21 0

Activity (Go SEA)

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