UCSF

ZINC34970530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 3.78 11.02 -39.86 1 4 1 38 366.872 2
Hi High (pH 8-9.5) 3.78 10.59 -9.48 0 4 0 36 365.864 2

Activity (Go SEA)

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