UCSF

ZINC12436984

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 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) 5.05 8.13 -100.58 0 7 -2 110 445.378 4
Ref Reference (pH 7) 5.05 8.82 -98.61 0 7 -2 110 445.378 4
Mid Mid (pH 6-8) 4.59 9.96 -50.54 1 7 -1 107 446.386 4

Activity (Go SEA)

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