UCSF

ZINC16729960

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 39 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) 5.98 12.58 -15.66 1 7 0 89 528.649 14
Mid Mid (pH 6-8) 5.40 13.25 -24.58 0 7 0 86 528.649 14
Lo Low (pH 4.5-6) 6.43 12.54 -54.85 2 7 1 90 529.657 13
Lo Low (pH 4.5-6) 5.40 13.53 -54.06 1 7 1 87 529.657 14

Activity (Go SEA)

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