UCSF

ZINC16734128

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 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) 4.43 8.9 -55.59 0 7 -1 82 497.999 10
Mid Mid (pH 6-8) 4.87 10.13 -58.32 2 7 1 81 500.015 9
Mid Mid (pH 6-8) 3.84 11.17 -59.08 1 7 1 77 500.015 10
Mid Mid (pH 6-8) 4.43 11.23 -67.37 1 7 0 83 499.007 10

Activity (Go SEA)

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