UCSF

ZINC16701261

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 35 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) 3.88 10.02 -62.07 0 8 -1 97 482.553 12
Mid Mid (pH 6-8) 4.33 7.88 -31.23 1 8 0 95 483.561 11
Mid Mid (pH 6-8) 3.30 8.86 -26.42 0 8 0 91 483.561 12

Activity (Go SEA)

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