UCSF

ZINC04312039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 26 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) 2.70 7.15 -59.38 0 5 -1 70 374.413 7
Mid Mid (pH 6-8) 3.14 0.33 -20.07 1 5 0 66 375.421 6
Mid Mid (pH 6-8) 2.11 -0.4 -12.62 0 5 0 63 375.421 7

Activity (Go SEA)

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