UCSF

ZINC09363572

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 30 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) 6.34 13.53 -60.41 0 4 -1 60 404.53 9
Mid Mid (pH 6-8) 6.78 2.3 -17.78 1 4 0 57 405.538 8
Mid Mid (pH 6-8) 5.76 1.61 -9.21 0 4 0 54 405.538 9

Activity (Go SEA)

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