UCSF

ZINC49717536

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 27 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) 1.87 6.23 -18.25 1 5 0 53 373.403 5
Mid Mid (pH 6-8) 1.87 8.43 -63.16 2 5 1 54 374.411 5

Activity (Go SEA)

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