UCSF

ZINC02268720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 26 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) 4.21 10.37 -49.57 0 9 -1 145 420.151 4
Lo Low (pH 4.5-6) 4.21 9.38 -12.75 1 9 0 142 421.159 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.