UCSF

ZINC22063579

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 4.31 13.06 -45.61 1 4 1 34 459.682 7
Hi High (pH 8-9.5) 4.31 10.81 -14.51 0 4 0 33 458.674 7

Activity (Go SEA)

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