UCSF

ZINC00831247

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 23 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) 4.67 10.48 -18.05 1 4 0 50 413.218 2
Mid Mid (pH 6-8) 5.12 9.14 -48.09 0 4 -1 53 412.21 2

Activity (Go SEA)

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