UCSF

ZINC19259994

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 19 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) 1.10 0.51 -11.3 3 5 0 68 283.759 4
Mid Mid (pH 6-8) 1.10 2.86 -47.97 4 5 1 69 284.767 4

Activity (Go SEA)

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