UCSF

ZINC36783351

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) 2.21 4.4 -44.17 3 2 1 31 239.408 5
Hi High (pH 8-9.5) 2.21 4.19 -1.78 2 2 0 29 238.4 5
Lo Low (pH 4.5-6) 2.21 6 -117.46 4 2 2 32 240.416 5

Activity (Go SEA)

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