UCSF

ZINC36699177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 30 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) 3.56 8.04 -48.98 2 5 1 46 422.471 7
Mid Mid (pH 6-8) 3.56 5.68 -12.11 1 5 0 45 421.463 7

Activity (Go SEA)

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