UCSF

ZINC16186303

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 33 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) -0.23 3.09 -53.84 6 10 0 169 457.483 3
Mid Mid (pH 6-8) -0.23 1.04 -52.77 5 10 -1 167 456.475 3

Activity (Go SEA)

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