UCSF

ZINC78953515

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2012 23 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) 0.85 2.05 -12.09 2 6 0 65 322.384 6
Mid Mid (pH 6-8) 0.85 4.26 -54.98 3 6 1 66 323.392 6

Activity (Go SEA)

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