UCSF

ZINC37253227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 2.14 8.66 -43.32 1 6 1 71 390.201 3
Mid Mid (pH 6-8) 2.14 6.45 -6.77 0 6 0 69 389.193 3

Activity (Go SEA)

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