UCSF

ZINC45649852

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) -0.35 0.11 -36.19 4 4 1 60 186.279 4
Hi High (pH 8-9.5) -0.35 -2.35 -7.41 3 4 0 58 185.271 4
Lo Low (pH 4.5-6) -0.35 1.25 -108.67 5 4 2 64 187.287 4

Activity (Go SEA)

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