UCSF

ZINC35450660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 33 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) 0.78 9.6 -22.64 1 9 0 102 444.495 7
Lo Low (pH 4.5-6) 0.78 10.07 -45.21 2 9 1 103 445.503 7

Activity (Go SEA)

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