UCSF

ZINC36786978

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) 2.47 3.36 -39.46 3 2 1 31 201.378 6
Mid Mid (pH 6-8) 2.47 5 -28.08 3 2 1 30 201.378 6
Mid Mid (pH 6-8) 2.47 5.37 -113.43 4 2 2 32 202.386 6

Activity (Go SEA)

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