UCSF

ZINC40068073

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 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) 2.15 4.56 -66.59 1 7 -1 103 425.244 8
Lo Low (pH 4.5-6) 2.15 3.82 -17.21 2 7 0 100 426.252 8

Activity (Go SEA)

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