UCSF

ZINC45687400

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) 2.21 5.06 -30.92 3 3 1 34 256.458 7
Hi High (pH 8-9.5) 2.21 3.37 -39.38 3 3 1 34 256.458 7
Lo Low (pH 4.5-6) 2.21 7.53 -106.7 4 3 2 35 257.466 7
Lo Low (pH 4.5-6) 2.21 7.76 -214.29 5 3 3 37 258.474 7

Activity (Go SEA)

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