UCSF

ZINC21881789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 30 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) 2.21 9.29 -22.03 2 7 0 97 420.856 5
Hi High (pH 8-9.5) 3.12 8.24 -50.97 1 7 -1 100 419.848 5

Activity (Go SEA)

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