UCSF

ZINC49752348

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 19 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) 1.07 8.37 -54.37 1 4 1 49 264.393 3
Mid Mid (pH 6-8) 1.07 6.13 -12.27 0 4 0 47 263.385 3

Activity (Go SEA)

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