UCSF

ZINC38091606

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 13 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) -0.10 3.7 -48.58 2 4 0 70 200.263 5
Mid Mid (pH 6-8) -0.10 2.34 -44.52 1 4 -1 65 199.255 5

Activity (Go SEA)

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