UCSF

ZINC16700810

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 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) 4.80 11.32 -59.83 0 7 -1 88 486.544 11
Mid Mid (pH 6-8) 5.24 10.29 -27.89 1 7 0 85 487.552 10
Mid Mid (pH 6-8) 4.21 11.3 -20.14 0 7 0 82 487.552 11

Activity (Go SEA)

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