UCSF

ZINC34625784

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 No

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) 1.38 3.81 -16.21 3 9 0 128 393.371 5
Hi High (pH 8-9.5) 1.01 1.29 -48.59 2 9 -1 134 392.363 5

Activity (Go SEA)

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