UCSF

ZINC36949082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) -0.31 -0.86 -38.3 3 4 1 49 201.29 5
Mid Mid (pH 6-8) -0.31 1.4 -101.49 4 4 2 51 202.298 5

Activity (Go SEA)

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