UCSF

ZINC25069402

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 34 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) 1.86 7.81 -17.7 0 8 0 72 487.984 7
Lo Low (pH 4.5-6) 1.86 10.07 -54.04 1 8 1 73 488.992 7

Activity (Go SEA)

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