UCSF

ZINC16731056

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 39 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) 4.95 13.67 -70.95 1 8 0 93 538.685 16
Mid Mid (pH 6-8) 5.39 12.51 -57.27 2 8 1 90 539.693 15
Mid Mid (pH 6-8) 4.36 13.54 -56.39 1 8 1 87 539.693 16

Activity (Go SEA)

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