UCSF

ZINC44610134

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) -1.41 0.04 -56.59 3 8 1 96 236.259 2
Hi High (pH 8-9.5) -1.41 -0.34 -9.11 2 8 0 94 235.251 2

Activity (Go SEA)

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