UCSF

ZINC31897412

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 29 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) 3.53 14.12 -49.97 1 6 1 66 414.551 9
Mid Mid (pH 6-8) 3.53 11.87 -15.25 0 6 0 64 413.543 9

Activity (Go SEA)

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