UCSF

ZINC31945000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.12 7.41 -81.2 1 5 0 61 331.441 5
Mid Mid (pH 6-8) 2.12 7.28 -83 1 5 0 61 331.441 5
Mid Mid (pH 6-8) 2.12 4.94 -55.01 0 5 -1 59 330.433 5

Activity (Go SEA)

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