UCSF

ZINC34962406

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 1.28 7.45 -68.1 4 8 1 94 470.981 7
Hi High (pH 8-9.5) 1.28 7.07 -21.42 3 8 0 93 469.973 7

Activity (Go SEA)

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