UCSF

ZINC09302105

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 34 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) 3.62 9.41 -57.26 0 9 -1 122 481.506 9
Mid Mid (pH 6-8) 4.06 9.75 -17.23 1 9 0 119 482.514 8
Mid Mid (pH 6-8) 3.03 0.55 -14.36 0 9 0 116 482.514 9

Activity (Go SEA)

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