UCSF

ZINC39742512

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 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) 0.98 5.83 -24.92 3 10 0 135 491.574 10
Hi High (pH 8-9.5) 1.17 4.28 -54.07 2 10 -1 141 490.566 10

Activity (Go SEA)

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