UCSF

ZINC16699802

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 31 No

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) 2.44 8.44 -54.25 0 7 -1 88 428.436 9
Mid Mid (pH 6-8) 2.89 6.15 -30.55 1 7 0 85 429.444 8
Mid Mid (pH 6-8) 1.86 7.13 -25.2 0 7 0 82 429.444 9

Activity (Go SEA)

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