UCSF

ZINC22999177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 21 No

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) 0.50 3.41 -40.1 3 6 1 72 300.423 7
Hi High (pH 8-9.5) 0.50 1.07 -6.56 2 6 0 71 299.415 7

Activity (Go SEA)

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