UCSF

ZINC36644327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 21 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) 1.62 7.02 -45.67 1 5 1 43 313.805 4
Mid Mid (pH 6-8) 1.62 4.67 -7.32 0 5 0 42 312.797 4

Activity (Go SEA)

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