UCSF

ZINC25510881

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 4.61 8.93 -36.88 2 6 0 84 430.48 7
Hi High (pH 8-9.5) 4.79 7.85 -56.64 1 6 -1 90 429.472 7

Activity (Go SEA)

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