UCSF

ZINC35505445

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 1.11 7.23 -21.19 0 10 0 92 506.559 5
Mid Mid (pH 6-8) 1.11 9.45 -64.77 1 10 1 93 507.567 5

Activity (Go SEA)

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