UCSF

ZINC01458062

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 23 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) 4.64 6.42 -7.74 2 5 0 74 501.96 2
Mid Mid (pH 6-8) 5.10 4.36 -46.32 1 5 -1 77 500.952 2
Mid Mid (pH 6-8) 5.10 4.68 -39.33 1 5 -1 77 500.952 2

Activity (Go SEA)

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