UCSF

ZINC41681788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 0.63 1.88 -42.97 5 7 1 102 302.424 8
Hi High (pH 8-9.5) 0.63 -0.07 -11.42 4 7 0 100 301.416 8

Activity (Go SEA)

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