UCSF

ZINC37094527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.27 6.33 -96.08 4 2 2 32 226.339 6
Hi High (pH 8-9.5) 2.27 5.93 -31.16 3 2 1 30 225.331 6

Activity (Go SEA)

Rings

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