UCSF

ZINC42573187

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) -0.18 1.47 -48.73 4 4 1 70 200.287 2
Mid Mid (pH 6-8) 0.01 -0.16 -41.86 3 4 0 76 199.279 2

Activity (Go SEA)

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