UCSF

ZINC34960882

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 4.00 10.81 -17.43 0 2 0 34 252.741 7
Hi High (pH 8-9.5) 4.75 9.71 -50.73 0 2 -1 40 251.733 6

Activity (Go SEA)

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