UCSF

ZINC28568236

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 33 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) 3.82 11.35 -95.53 3 7 2 67 491.419 7
Hi High (pH 8-9.5) 3.82 9.53 -10.31 1 7 0 61 489.403 7

Activity (Go SEA)

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