UCSF

ZINC15937396

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 29 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) 3.26 10.01 -9.97 1 7 0 72 403.523 11
Mid Mid (pH 6-8) 3.26 10.87 -30.88 2 7 1 74 404.531 12
Lo Low (pH 4.5-6) 3.26 10.1 -36 2 7 1 74 404.531 11

Activity (Go SEA)

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