UCSF

ZINC42901119

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 2.01 6.66 -114.72 4 2 2 32 208.349 5
Mid Mid (pH 6-8) 2.01 4.95 -36.81 3 2 1 31 207.341 5
Mid Mid (pH 6-8) 2.01 6.32 -32.2 3 2 1 30 207.341 5

Activity (Go SEA)

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