UCSF

ZINC19200283

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 22 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) 0.90 1.81 -45.54 4 6 1 81 373.271 8
Hi High (pH 8-9.5) 0.90 0.4 -14.05 3 6 0 77 372.263 8
Lo Low (pH 4.5-6) 0.90 2.73 -41 4 6 1 78 373.271 8

Activity (Go SEA)

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