UCSF

ZINC60007236

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 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) 2.83 5.16 -38.82 3 2 1 37 261.172 4
Hi High (pH 8-9.5) 2.83 3.83 -4.22 2 2 0 32 260.164 4

Activity (Go SEA)

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