UCSF

ZINC57413605

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 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) 4.43 9.55 -8.93 2 5 0 61 382.895 8
Lo Low (pH 4.5-6) 4.43 9.79 -28.5 3 5 0 62 383.903 8

Activity (Go SEA)

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