UCSF

ZINC21513369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 5.26 6.44 -13.42 2 3 0 49 316.571 2
Mid Mid (pH 6-8) 5.26 7.47 -50.08 1 3 -1 52 315.563 2

Activity (Go SEA)

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