UCSF

ZINC38487340

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 27 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) 5.30 8.36 -10.34 1 6 0 70 366.417 8
Lo Low (pH 4.5-6) 5.30 8.78 -27.93 2 6 1 71 367.425 8

Activity (Go SEA)

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