UCSF

ZINC34985734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.64 8.97 -52.08 0 7 -1 98 421.473 9
Lo Low (pH 4.5-6) 3.64 7.73 -13.88 1 7 0 95 422.481 9
Lo Low (pH 4.5-6) 3.64 9.42 -38.19 1 7 0 99 422.481 9

Activity (Go SEA)

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