UCSF

ZINC42778471

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 2.96 4.51 -4.3 1 2 0 23 261.287 7
Mid Mid (pH 6-8) 2.96 6.68 -39.73 2 2 1 25 262.295 7

Activity (Go SEA)

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