UCSF

ZINC36110565

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) 3.05 4.62 -11.81 1 5 0 72 305.783 7
Mid Mid (pH 6-8) 3.05 4.78 -36.8 0 5 -1 75 304.775 7

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Rings

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