UCSF

ZINC44693296

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 0.98 4.53 -49.14 1 6 -1 88 300.375 10
Lo Low (pH 4.5-6) 0.98 2.55 -8.26 2 6 0 85 301.383 10

Activity (Go SEA)

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