UCSF

ZINC36793294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 0.90 2.73 -10.01 2 6 0 86 275.308 4
Hi High (pH 8-9.5) 1.36 0.94 -48.75 1 6 -1 89 274.3 4

Activity (Go SEA)

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