UCSF

ZINC21784609

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 32 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) 5.74 9.86 -43.94 1 6 -1 87 452.531 8
Mid Mid (pH 6-8) 5.28 10.98 -13.26 2 6 0 84 453.539 8

Activity (Go SEA)

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