UCSF

ZINC13284555

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 25 Yes

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) 6.70 12.93 -9.17 1 2 0 29 365.263 3
Mid Mid (pH 6-8) 6.70 13.32 -31.8 2 2 1 30 366.271 3
Lo Low (pH 4.5-6) 6.70 13.38 -29.01 2 2 1 30 366.271 3

Activity (Go SEA)

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