UCSF

ZINC07998035

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 19 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) 2.10 6.31 -50.65 1 4 -1 77 263.313 3
Lo Low (pH 4.5-6) 2.10 4.26 -10.26 2 4 0 75 264.321 3

Activity (Go SEA)

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