UCSF

ZINC09446225

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 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) 6.72 15.95 -59.23 0 6 -1 83 523.634 8
Mid Mid (pH 6-8) 7.16 14.05 -32.77 1 6 0 80 524.642 7
Mid Mid (pH 6-8) 6.13 15.05 -22.44 0 6 0 77 524.642 8

Activity (Go SEA)

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