UCSF

ZINC36790203

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) 2.54 5.47 -120.02 4 4 2 51 282.428 8
Hi High (pH 8-9.5) 2.54 5.27 -32.13 3 4 1 49 281.42 8
Hi High (pH 8-9.5) 2.54 3.93 -43.24 3 4 1 49 281.42 8

Activity (Go SEA)

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