UCSF

ZINC36786881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.24 3.91 -39.58 3 2 1 31 201.378 6
Mid Mid (pH 6-8) 2.24 5.22 -26.52 3 2 1 30 201.378 6
Mid Mid (pH 6-8) 2.24 5.41 -115.73 4 2 2 32 202.386 6

Activity (Go SEA)

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