UCSF

ZINC17146885

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 29 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) 2.32 4.88 -63.69 1 7 -1 99 396.419 7
Mid Mid (pH 6-8) 1.73 4.79 -14.76 1 7 0 93 397.427 7
Lo Low (pH 4.5-6) 2.32 4.06 -17.49 2 7 0 96 397.427 7

Activity (Go SEA)

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