UCSF

ZINC06313718

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 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) 2.26 8.04 -52.44 0 7 -1 92 409.462 10
Mid Mid (pH 6-8) 1.67 7.59 -18.14 0 7 0 86 410.47 10
Mid Mid (pH 6-8) 2.70 6.58 -26.86 1 7 0 89 410.47 9

Activity (Go SEA)

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