UCSF

ZINC00111823

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 2.23 0.41 -8.8 1 2 0 29 223.341 4
Hi High (pH 8-9.5) 2.23 -0.55 -51.15 1 2 -1 29 222.333 4

Activity (Go SEA)

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