UCSF

ZINC03026211

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 16 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) 1.00 6.51 -73.92 2 4 0 70 222.288 8
Lo Low (pH 4.5-6) 1.00 4.54 -51.18 3 4 1 67 223.296 8

Activity (Go SEA)

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