UCSF

ZINC06238887

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 27 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) 3.44 8.93 -57.9 0 5 -1 70 429.29 7
Mid Mid (pH 6-8) 3.89 -0.27 -18.7 1 5 0 66 430.298 6
Mid Mid (pH 6-8) 2.86 -0.8 -11.11 0 5 0 63 430.298 7

Activity (Go SEA)

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