UCSF

ZINC37052386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) -0.20 3.43 -7.23 2 3 0 46 255.115 1
Lo Low (pH 4.5-6) -0.20 3.73 -35.97 3 3 1 48 256.123 1

Activity (Go SEA)

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