UCSF

ZINC43799337

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 18 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) -0.46 4.64 -53.31 2 6 1 72 257.31 6
Hi High (pH 8-9.5) -0.46 3.27 -12.87 1 6 0 68 256.302 6

Activity (Go SEA)

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