UCSF

ZINC20714124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 29 No

Download: MOL2 SDF SMILES Flexibase

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) 3.00 4.82 -8.73 0 6 0 55 412.511 4
Mid Mid (pH 6-8) 3.00 7.1 -47.7 1 6 1 56 413.519 4

Activity (Go SEA)

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