UCSF

ZINC35989562

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 28 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) 1.68 10.14 -123.48 0 8 -2 121 392.452 4
Lo Low (pH 4.5-6) 1.68 8.04 -65.17 1 8 -1 118 393.46 4
Lo Low (pH 4.5-6) 1.68 6.06 -21.38 2 8 0 115 394.468 4

Activity (Go SEA)

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