UCSF

ZINC37468707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 13 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) -0.43 -1.9 -43.64 5 4 1 77 189.279 6
Mid Mid (pH 6-8) -0.43 -2.21 -8.12 4 4 0 75 188.271 6

Activity (Go SEA)

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