UCSF

ZINC43906555

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.86 10.79 -120.7 3 2 2 21 262.441 8
Mid Mid (pH 6-8) 3.86 9.86 -33.57 2 2 1 16 261.433 8
Mid Mid (pH 6-8) 3.86 8.93 -33.23 2 2 1 20 261.433 8

Activity (Go SEA)

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