UCSF

ZINC37817741

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.10 5.51 -39.4 3 3 1 48 233.335 5
Mid Mid (pH 6-8) 0.10 5.16 -6.97 2 3 0 46 232.327 5

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Rings

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