UCSF

ZINC17918626

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 30 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) 1.50 6.23 -120.23 1 8 -2 130 409.394 8
Mid Mid (pH 6-8) 0.92 6.44 -55.55 1 8 -1 124 410.402 8

Activity (Go SEA)

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