UCSF

ZINC13608604

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 18 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) 2.06 7.53 -12.25 2 5 0 70 243.245 2
Lo Low (pH 4.5-6) 2.06 7.81 -39.51 3 5 1 71 244.253 2
Lo Low (pH 4.5-6) 2.06 3.37 -33.9 3 5 1 71 244.253 2

Activity (Go SEA)

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