UCSF

ZINC15109287

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2008 31 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) 2.59 7.5 -59.46 0 8 -1 105 424.429 9
Mid Mid (pH 6-8) 3.04 6.46 -28.02 1 8 0 102 425.437 8
Mid Mid (pH 6-8) 2.01 7.45 -21.1 0 8 0 99 425.437 9

Activity (Go SEA)

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