UCSF

ZINC24083389

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 26 Yes

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) 2.66 8.59 -51.15 1 6 1 60 370.351 6
Mid Mid (pH 6-8) 2.66 6.28 -10.01 0 6 0 59 369.343 6

Activity (Go SEA)

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