UCSF

ZINC36950565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) -1.03 -0.06 -43.11 3 4 1 64 186.279 7
Hi High (pH 8-9.5) -1.03 -1.43 -6.83 2 4 0 59 185.271 7
Mid Mid (pH 6-8) -1.03 2.36 -114.09 4 4 2 65 187.287 7

Activity (Go SEA)

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