UCSF

ZINC09233266

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 3.13 9.02 -58.87 0 8 -1 113 437.453 6
Mid Mid (pH 6-8) 3.57 8.86 -16.89 1 8 0 110 438.461 5
Mid Mid (pH 6-8) 2.54 0.66 -14.22 0 8 0 106 438.461 6

Activity (Go SEA)

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