UCSF

ZINC35048110

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 1.64 4.5 -81.85 3 7 0 103 313.741 6
Hi High (pH 8-9.5) 1.64 2.29 -68.98 2 7 -1 102 312.733 6

Activity (Go SEA)

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