UCSF

ZINC09123645

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 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) 2.66 8.26 -55.63 0 9 -1 119 450.471 7
Mid Mid (pH 6-8) 3.11 10.34 -53.54 2 9 1 117 452.487 6
Mid Mid (pH 6-8) 2.66 10.6 -74.97 1 9 0 120 451.479 7

Activity (Go SEA)

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