UCSF

ZINC22042863

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 31 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) 3.36 10.07 -107.29 4 5 2 54 460.453 5
Hi High (pH 8-9.5) 3.36 8.65 -54.97 3 5 1 50 459.445 5
Lo Low (pH 4.5-6) 3.36 10.48 -174.76 5 5 3 56 461.461 5

Activity (Go SEA)

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