UCSF

ZINC36793537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -0.14 -1.44 -44.85 1 6 -1 89 224.24 4
Lo Low (pH 4.5-6) -0.60 0.41 -9.93 2 6 0 86 225.248 4

Activity (Go SEA)

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