UCSF

ZINC39693792

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 30 No

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) -1.01 3.93 -57.08 3 9 1 115 413.502 4
Lo Low (pH 4.5-6) -1.01 4.21 -95.23 4 9 2 116 414.51 4

Activity (Go SEA)

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