UCSF

ZINC42171785

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) 2.08 7.63 -107.35 3 3 2 24 275.44 5
Mid Mid (pH 6-8) 2.08 7.62 -86.93 3 3 2 24 275.44 5
Mid Mid (pH 6-8) 2.08 5.36 -36.91 2 3 1 23 274.432 5

Activity (Go SEA)

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