UCSF

ZINC00827909

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 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) 3.23 7.44 -50.69 0 6 -1 79 431.262 5
Mid Mid (pH 6-8) 2.65 -0.35 -15.88 0 6 0 72 432.27 5

Activity (Go SEA)

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