UCSF

ZINC21535593

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 1.92 6.96 -16.65 0 8 0 87 461.584 5
Mid Mid (pH 6-8) 1.92 9.29 -70.15 1 8 1 88 462.592 5

Activity (Go SEA)

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