UCSF

ZINC36081850

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 31 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) 7.03 11.84 -17.1 2 5 0 71 430.891 6
Hi High (pH 8-9.5) 7.03 12.83 -67.48 1 5 -1 74 429.883 6

Activity (Go SEA)

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