UCSF

ZINC39548016

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.86 7.71 -13 1 4 0 51 360.335 6
Lo Low (pH 4.5-6) 3.86 8.07 -39.41 2 4 1 52 361.343 6

Activity (Go SEA)

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