UCSF

ZINC36991801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.54 10.39 -57.93 2 2 1 40 303.788 4
Hi High (pH 8-9.5) 4.54 9.45 -7.46 1 2 0 36 302.78 4

Activity (Go SEA)

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