UCSF

ZINC06309349

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 29 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) 4.57 0.4 -12.4 1 4 0 57 403.503 5
Mid Mid (pH 6-8) 3.99 0.23 -17.63 0 4 0 54 403.503 5

Activity (Go SEA)

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