UCSF

ZINC09633463

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 36 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) 3.06 2.91 -18.77 0 12 0 143 493.476 11
Mid Mid (pH 6-8) 3.06 3.26 -60.86 1 12 1 144 494.484 11

Activity (Go SEA)

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