UCSF

ZINC36999670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.19 1.64 -42.41 6 6 1 101 291.375 4
Hi High (pH 8-9.5) 1.19 0.31 -13.44 5 6 0 96 290.367 4

Activity (Go SEA)

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