UCSF

ZINC36089889

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 26 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) 4.91 8.64 -54.01 1 6 -1 95 367.406 4
Hi High (pH 8-9.5) 4.91 9.41 -94.76 0 6 -2 98 366.398 4

Activity (Go SEA)

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