UCSF

ZINC31852645

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 28 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) 2.94 10.87 -41.6 1 6 1 63 414.58 5
Mid Mid (pH 6-8) 2.94 10.56 -14.04 0 6 0 62 413.572 5

Activity (Go SEA)

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