UCSF

ZINC35384813

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 16 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) -1.42 2.75 -49.65 2 7 0 104 240.244 4
Hi High (pH 8-9.5) -1.42 1.37 -55.98 1 7 -1 99 239.236 4

Activity (Go SEA)

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