UCSF

ZINC25510356

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 4.43 10.97 -22.53 1 7 0 88 499.565 8
Mid Mid (pH 6-8) 4.61 9.87 -61.47 0 7 -1 94 498.557 8

Activity (Go SEA)

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