UCSF

ZINC36208014

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 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) 2.48 5.29 -17.38 2 8 0 101 461.584 11
Mid Mid (pH 6-8) 2.48 7.34 -55.24 3 8 1 102 462.592 11

Activity (Go SEA)

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