UCSF

ZINC17002416

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 23 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) 2.06 8.76 -19.77 2 8 0 97 312.333 3
Hi High (pH 8-9.5) 1.57 7.32 -45.88 1 8 -1 100 311.325 3

Activity (Go SEA)

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