UCSF

ZINC39927704

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 19 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) 2.18 5.81 -53.65 0 5 -1 71 258.253 4
Lo Low (pH 4.5-6) 2.18 6.32 -33.91 1 5 0 73 259.261 4

Activity (Go SEA)

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