UCSF

ZINC16351768

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.54 6.4 -49.02 2 5 1 52 319.406 6
Hi High (pH 8-9.5) 2.54 4.16 -12.2 1 5 0 51 318.398 6

Activity (Go SEA)

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