UCSF

ZINC26900257

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 17 No

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) 0.26 -0.6 -17.4 2 6 0 74 254.315 3
Hi High (pH 8-9.5) 0.08 -1.61 -39.27 1 6 -1 81 253.307 3
Mid Mid (pH 6-8) 0.82 1.04 -40.01 3 6 1 79 255.323 2

Activity (Go SEA)

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