UCSF

ZINC24056208

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 16 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) 1.63 3.99 -6.26 2 5 0 64 242.71 1
Lo Low (pH 4.5-6) 1.63 4.45 -30.92 3 5 1 66 243.718 1
Lo Low (pH 4.5-6) 1.63 4.33 -33.4 3 5 1 66 243.718 1

Activity (Go SEA)

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