UCSF

ZINC35141213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 17 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) 2.85 3.64 -10.7 2 4 0 59 235.283 4
Hi High (pH 8-9.5) 2.85 4.65 -54.92 1 4 -1 61 234.275 4

Activity (Go SEA)

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