UCSF

ZINC45665785

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.33 5.76 -108.79 4 3 2 35 257.466 8
Hi High (pH 8-9.5) 2.33 3.28 -44.69 3 3 1 34 256.458 8
Lo Low (pH 4.5-6) 2.33 7.46 -224.31 5 3 3 37 258.474 8

Activity (Go SEA)

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