UCSF

ZINC09152013

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 29 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) 2.22 -6.97 -15.26 2 8 0 106 417.487 5
Hi High (pH 8-9.5) 2.22 -6.39 -47.68 1 8 -1 108 416.479 5

Activity (Go SEA)

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