UCSF

ZINC21531287

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 27 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) 3.48 6.68 -54.89 2 6 1 71 408.931 5
Mid Mid (pH 6-8) 3.48 7.59 -18.23 1 6 0 70 407.923 5

Activity (Go SEA)

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