UCSF

ZINC05446311

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 26 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) 3.00 6.52 -57.08 1 5 -1 81 415.263 5
Mid Mid (pH 6-8) 2.42 -2.95 -12.83 1 5 0 74 416.271 5
Mid Mid (pH 6-8) 3.00 5.7 -12.75 2 5 0 78 416.271 5

Activity (Go SEA)

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