UCSF

ZINC36753880

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -0.32 -0.09 -44.22 3 4 1 49 201.29 2
Lo Low (pH 4.5-6) -0.32 2.22 -106.03 4 4 2 51 202.298 2

Activity (Go SEA)

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