UCSF

ZINC21941936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 30 Yes

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) 0.36 5.43 -19.74 0 8 0 67 413.522 3
Mid Mid (pH 6-8) 0.36 7.81 -50.88 1 8 1 69 414.53 3

Activity (Go SEA)

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