UCSF

ZINC05595911

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 25 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) 2.75 6.16 -50.25 1 7 -1 115 357.729 4
Mid Mid (pH 6-8) 3.19 -1.36 -18.82 2 7 0 112 358.737 3

Activity (Go SEA)

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