UCSF

ZINC41677597

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 No

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) 2.14 5.9 -59.8 2 4 0 42 246.405 6
Hi High (pH 8-9.5) 2.14 3.69 -41.85 1 4 -1 41 245.397 6

Activity (Go SEA)

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