UCSF

ZINC20218476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) -0.82 1.88 -103.22 3 6 2 62 264.395 2
Hi High (pH 8-9.5) -0.82 -1.81 -7.86 1 6 0 56 262.379 2
Mid Mid (pH 6-8) -0.82 -0.5 -49.74 2 6 1 60 263.387 2

Activity (Go SEA)

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