UCSF

ZINC22861498

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 12 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) 1.10 5.18 -41.29 2 3 1 34 168.264 5
Hi High (pH 8-9.5) 1.10 3.77 -5.68 1 3 0 30 167.256 5

Activity (Go SEA)

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