UCSF

ZINC06061099

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 19 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) 3.35 5.39 -10.59 1 3 0 45 250.301 3
Mid Mid (pH 6-8) 3.35 6.3 -32.5 2 3 1 47 251.309 3

Activity (Go SEA)

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