UCSF

ZINC53130678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 2.23 6.51 -49.24 3 2 1 41 247.749 4
Hi High (pH 8-9.5) 2.23 6.22 -5.87 2 2 0 39 246.741 4
Lo Low (pH 4.5-6) 2.23 6.97 -113.6 4 2 2 42 248.757 4

Activity (Go SEA)

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