UCSF

ZINC36851417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) -0.57 3.8 -56.11 2 5 1 67 234.279 4
Hi High (pH 8-9.5) -0.57 2.52 -12.78 1 5 0 62 233.271 4
Lo Low (pH 4.5-6) -0.57 2.99 -39.66 2 5 1 64 234.279 4

Activity (Go SEA)

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