UCSF

ZINC36992073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 4.26 9.79 -94.41 3 2 2 21 302.915 5
Hi High (pH 8-9.5) 4.26 8.99 -32.86 2 2 1 16 301.907 5

Activity (Go SEA)

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