UCSF

ZINC39687471

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.93 9.54 -98.22 4 9 2 101 509.699 5
Mid Mid (pH 6-8) 1.93 9.21 -60.43 3 9 1 100 508.691 5

Activity (Go SEA)

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