UCSF

ZINC22065515

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 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) 2.95 6.7 -54.66 1 4 -1 69 316.421 1
Lo Low (pH 4.5-6) 2.95 5.58 -12.48 2 4 0 66 317.429 1

Activity (Go SEA)

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