UCSF

ZINC36660523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 32 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) 1.90 7.96 -15.32 0 8 0 73 433.512 4
Mid Mid (pH 6-8) 1.90 10.17 -66.17 1 8 1 74 434.52 4

Activity (Go SEA)

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