UCSF

ZINC37272412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 1.97 4.27 -38.65 4 5 1 63 311.837 5
Hi High (pH 8-9.5) 1.97 2.06 -6.99 3 5 0 62 310.829 5
Mid Mid (pH 6-8) 1.97 4.34 -36.73 4 5 1 63 311.837 5

Activity (Go SEA)

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