UCSF

ZINC16729954

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 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) 5.86 14.23 -71.28 1 7 0 83 522.686 16
Mid Mid (pH 6-8) 6.31 13.08 -56.49 2 7 1 81 523.694 15
Mid Mid (pH 6-8) 5.28 14.07 -55.92 1 7 1 77 523.694 16

Activity (Go SEA)

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