UCSF

ZINC57865001

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 26 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 8.32 -41.39 2 6 1 63 362.494 9
Mid Mid (pH 6-8) 1.90 6.13 -13.86 1 6 0 62 361.486 9

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