UCSF

ZINC09437137

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 31 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) 1.76 5.73 -58.51 1 9 -1 136 429.38 9
Mid Mid (pH 6-8) 2.21 5.65 -21.36 2 9 0 133 430.388 8
Mid Mid (pH 6-8) 1.18 6.56 -13.93 1 9 0 130 430.388 9

Activity (Go SEA)

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