UCSF

ZINC21638019

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 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) -0.08 7.69 -90.63 2 7 2 58 320.441 2
Mid Mid (pH 6-8) -0.08 5.29 -42.52 1 7 1 57 319.433 2
Mid Mid (pH 6-8) -0.08 5.22 -46.83 1 7 1 57 319.433 2
Mid Mid (pH 6-8) -0.08 2.82 -7.38 0 7 0 56 318.425 2

Activity (Go SEA)

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