UCSF

ZINC21938580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 29 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) 1.53 6.06 -51.02 2 7 1 60 400.547 5
Hi High (pH 8-9.5) 1.53 3.59 -16 1 7 0 59 399.539 5
Mid Mid (pH 6-8) 1.53 5.92 -55.26 2 7 1 60 400.547 5

Activity (Go SEA)

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