UCSF

ZINC35838512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 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) 3.64 9.5 -19.32 1 6 0 66 390.487 4
Lo Low (pH 4.5-6) 3.64 9.97 -45.19 2 6 1 67 391.495 4

Activity (Go SEA)

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