UCSF

ZINC19224447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 28 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) 3.26 12.77 -95.09 2 5 2 30 389.632 8
Hi High (pH 8-9.5) 3.26 10.5 -35.61 1 5 1 29 388.624 8

Activity (Go SEA)

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