UCSF

ZINC11818892

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 29 Yes

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) 2.67 -3.48 -49.56 3 8 1 93 399.519 7
Mid Mid (pH 6-8) 2.67 -3.26 -85.71 4 8 2 94 400.527 7

Activity (Go SEA)

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