UCSF

ZINC36156648

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 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) 4.39 10.55 -13.86 2 5 0 69 459.615 8
Mid Mid (pH 6-8) 4.39 12.55 -52.64 3 5 1 70 460.623 8

Activity (Go SEA)

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