UCSF

ZINC36214995

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.45 3.95 -13.73 0 8 0 85 397.497 6
Mid Mid (pH 6-8) 1.45 6.14 -47.76 1 8 1 86 398.505 6

Activity (Go SEA)

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