UCSF

ZINC22241747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 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) 2.41 7.14 -47.36 2 5 1 46 360.522 7
Mid Mid (pH 6-8) 2.41 9.49 -96.61 3 5 2 47 361.53 7

Activity (Go SEA)

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