UCSF

ZINC43442046

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 1.50 3.74 -11.18 2 6 0 84 289.335 6
Mid Mid (pH 6-8) 1.50 4.96 -36.4 3 6 1 89 290.343 6

Activity (Go SEA)

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