UCSF

ZINC06379060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 28 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) 2.12 5.88 -67.42 1 6 -1 84 379.436 7
Lo Low (pH 4.5-6) 2.12 5.05 -19.14 2 6 0 81 380.444 7

Activity (Go SEA)

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