UCSF

ZINC20775281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 35 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) 3.81 10.61 -17.2 0 7 0 74 489.597 8
Lo Low (pH 4.5-6) 3.81 11.03 -44.34 1 7 1 75 490.605 8

Activity (Go SEA)

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