UCSF

ZINC38925329

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2010 27 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) 2.10 9.27 -15.93 1 8 0 97 407.521 9
Hi High (pH 8-9.5) 2.28 8.06 -49.35 0 8 -1 104 406.513 9

Activity (Go SEA)

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