UCSF

ZINC36789587

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 0.73 4.06 -40.51 2 4 1 40 228.36 5
Hi High (pH 8-9.5) 0.73 2.7 -7.67 1 4 0 36 227.352 5

Activity (Go SEA)

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